trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide

C48H50N14O4 — CID 157096539

About trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 157096539) has the molecular formula C48H50N14O4 and a molecular weight of 887.02 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
• PubChem CID: 157096539
• Molecular Formula: C48H50N14O4
• Molecular Weight: 887.02 g/mol
• Exact Mass: 886.41
• IUPAC Name: trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
• SMILES: COCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)cn1.COCCn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)cn1
• InChI: InChI=1S/2C24H25N7O2/c2*1-14-3-4-26-11-19(14)21-7-15-8-22(27-12-20(15)23(25)29-21)30-24(32)18-9-17(18)16-10-28-31(13-16)5-6-33-2/h2*3-4,7-8,10-13,17-18H,5-6,9H2,1-2H3,(H2,25,29)(H,27,30,32)/t2*17-,18+/m10/s1
• InChIKey: AFGUNAYTSFJHQJ-QVUSPSOHSA-N
• XLogP: 6.34
• TPSA: 241.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	887.02
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide (CID 157096539) is trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide is COCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)cn1.COCCn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)cn1.

What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?

The InChIKey is AFGUNAYTSFJHQJ-QVUSPSOHSA-N. The full InChI is InChI=1S/2C24H25N7O2/c2*1-14-3-4-26-11-19(14)21-7-15-8-22(27-12-20(15)23(25)29-21)30-24(32)18-9-17(18)16-10-28-31(13-16)5-6-33-2/h2*3-4,7-8,10-13,17-18H,5-6,9H2,1-2H3,(H2,25,29)(H,27,30,32)/t2*17-,18+/m10/s1.

What are the key properties of trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?

trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 887.02 g/mol, XLogP of 6.34, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157096539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).