(2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate

C99H86F6N28O9 — CID 158851986

About (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate

(2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate (PubChem CID 158851986) has the molecular formula C99H86F6N28O9 and a molecular weight of 1925.95 g/mol. Its IUPAC name is (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate.

Molecular Properties

• Compound Name: (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate
• PubChem CID: 158851986
• Molecular Formula: C99H86F6N28O9
• Molecular Weight: 1925.95 g/mol
• Exact Mass: 1924.70
• IUPAC Name: (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate
• SMILES: C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)C5C[C@H]5C#N)ncc4c(N)n3)cc2O1.Cc1ccccc1-c1cc2cc(NC(=O)N[C@H]3CCC[C@@H]3O)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)O[C@@H]3CCNC3=O)ncc2c(N)n1.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cc[nH]c3C(F)(F)F)nc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cc[nH]c3C(F)(F)F)nc(N)c2cn1
• InChI: InChI=1S/C22H18N6O2.C21H23N5O2.C20H19N5O3.2C18H13F3N6O/c1-10-3-18-19(30-11(2)26-18)7-14(10)17-5-12-6-20(25-9-16(12)21(24)27-17)28-22(29)15-4-13(15)8-23;1-12-5-2-3-6-14(12)17-9-13-10-19(23-11-15(13)20(22)24-17)26-21(28)25-16-7-4-8-18(16)27;1-11-4-2-3-5-13(11)15-8-12-9-17(23-10-14(12)18(21)24-15)25-20(27)28-16-6-7-22-19(16)26;2*19-18(20,21)15-10(1-2-24-15)13-4-8-5-14(25-7-12(8)16(23)26-13)27-17(28)11-3-9(11)6-22/h3,5-7,9,13,15,26H,2,4H2,1H3,(H2,24,27)(H,25,28,29);2-3,5-6,9-11,16,18,27H,4,7-8H2,1H3,(H2,22,24)(H2,23,25,26,28);2-5,8-10,16H,6-7H2,1H3,(H2,21,24)(H,22,26)(H,23,25,27);2*1-2,4-5,7,9,11,24H,3H2,(H2,23,26)(H,25,27,28)/t13-,15?;16-,18-;16-;2*9-,11+/m00110/s1
• InChIKey: IZOMGXNQQVQSIW-FQQWWMNVSA-N
• XLogP: 16.06
• TPSA: 599.30 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1925.95
LogP ≤ 5	16.06
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate?

The IUPAC name of (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate (CID 158851986) is (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate.

What is the SMILES notation for (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate?

The canonical SMILES for (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate is C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)C5C[C@H]5C#N)ncc4c(N)n3)cc2O1.Cc1ccccc1-c1cc2cc(NC(=O)N[C@H]3CCC[C@@H]3O)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)O[C@@H]3CCNC3=O)ncc2c(N)n1.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cc[nH]c3C(F)(F)F)nc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cc[nH]c3C(F)(F)F)nc(N)c2cn1.

What is the InChIKey of (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate?

The InChIKey is IZOMGXNQQVQSIW-FQQWWMNVSA-N. The full InChI is InChI=1S/C22H18N6O2.C21H23N5O2.C20H19N5O3.2C18H13F3N6O/c1-10-3-18-19(30-11(2)26-18)7-14(10)17-5-12-6-20(25-9-16(12)21(24)27-17)28-22(29)15-4-13(15)8-23;1-12-5-2-3-6-14(12)17-9-13-10-19(23-11-15(13)20(22)24-17)26-21(28)25-16-7-4-8-18(16)27;1-11-4-2-3-5-13(11)15-8-12-9-17(23-10-14(12)18(21)24-15)25-20(27)28-16-6-7-22-19(16)26;2*19-18(20,21)15-10(1-2-24-15)13-4-8-5-14(25-7-12(8)16(23)26-13)27-17(28)11-3-9(11)6-22/h3,5-7,9,13,15,26H,2,4H2,1H3,(H2,24,27)(H,25,28,29);2-3,5-6,9-11,16,18,27H,4,7-8H2,1H3,(H2,22,24)(H2,23,25,26,28);2-5,8-10,16H,6-7H2,1H3,(H2,21,24)(H,22,26)(H,23,25,27);2*1-2,4-5,7,9,11,24H,3H2,(H2,23,26)(H,25,27,28)/t13-,15?;16-,18-;16-;2*9-,11+/m00110/s1.

What are the key properties of (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate?

(2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate has a molecular weight of 1925.95 g/mol, XLogP of 16.06, 15 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[(1S,2S)-2-hydroxycyclopentyl]urea;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 158851986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).