6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C119H118F2N38O4 — CID 161125132

About 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 161125132) has the molecular formula C119H118F2N38O4 and a molecular weight of 2182.51 g/mol. Its IUPAC name is 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 161125132
• Molecular Formula: C119H118F2N38O4
• Molecular Weight: 2182.51 g/mol
• Exact Mass: 2181.02
• IUPAC Name: 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: C=C(c1cc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)cn1)N(C)C.C=C(c1cc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)cn1)N(C)C.C=C1c2ncc(-c3cc4cc(NC(=O)[C@@H]5C[C@H]5c5cnn(C)c5)ncc4c(N)n3)cc2C=NN1C.C=C1c2ncc(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5c5cnn(C)c5)ncc4c(N)n3)cc2C=NN1C.Cc1ccccc1-c1cc2cc(NCC(F)F)ncc2c(N)n1
• InChI: InChI=1S/2C26H28N8O.2C25H23N9O.C17H16F2N4/c2*1-14-6-22(15(2)33(3)4)28-11-20(14)23-7-16-8-24(29-12-21(16)25(27)31-23)32-26(35)19-9-18(19)17-10-30-34(5)13-17;2*1-13-23-16(9-30-34(13)3)4-15(8-28-23)21-5-14-6-22(27-11-20(14)24(26)31-21)32-25(35)19-7-18(19)17-10-29-33(2)12-17;1-10-4-2-3-5-12(10)14-6-11-7-16(22-9-15(18)19)21-8-13(11)17(20)23-14/h2*6-8,10-13,18-19H,2,9H2,1,3-5H3,(H2,27,31)(H,29,32,35);2*4-6,8-12,18-19H,1,7H2,2-3H3,(H2,26,31)(H,27,32,35);2-8,15H,9H2,1H3,(H2,20,23)(H,21,22)/t4*18-,19+;/m1010./s1
• InChIKey: ULLQWZMAUHXUAP-KATFYMGDSA-N
• XLogP: 17.04
• TPSA: 547.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2182.51
LogP ≤ 5	17.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 161125132) is 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is C=C(c1cc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)cn1)N(C)C.C=C(c1cc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)cn1)N(C)C.C=C1c2ncc(-c3cc4cc(NC(=O)[C@@H]5C[C@H]5c5cnn(C)c5)ncc4c(N)n3)cc2C=NN1C.C=C1c2ncc(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5c5cnn(C)c5)ncc4c(N)n3)cc2C=NN1C.Cc1ccccc1-c1cc2cc(NCC(F)F)ncc2c(N)n1.

What is the InChIKey of 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is ULLQWZMAUHXUAP-KATFYMGDSA-N. The full InChI is InChI=1S/2C26H28N8O.2C25H23N9O.C17H16F2N4/c2*1-14-6-22(15(2)33(3)4)28-11-20(14)23-7-16-8-24(29-12-21(16)25(27)31-23)32-26(35)19-9-18(19)17-10-30-34(5)13-17;2*1-13-23-16(9-30-34(13)3)4-15(8-28-23)21-5-14-6-22(27-11-20(14)24(26)31-21)32-25(35)19-7-18(19)17-10-29-33(2)12-17;1-10-4-2-3-5-12(10)14-6-11-7-16(22-9-15(18)19)21-8-13(11)17(20)23-14/h2*6-8,10-13,18-19H,2,9H2,1,3-5H3,(H2,27,31)(H,29,32,35);2*4-6,8-12,18-19H,1,7H2,2-3H3,(H2,26,31)(H,27,32,35);2-8,15H,9H2,1H3,(H2,20,23)(H,21,22)/t4*18-,19+;/m1010./s1.

What are the key properties of 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2182.51 g/mol, XLogP of 17.04, 24 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 161125132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).