6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile

C97H82ClF5N26O3 — CID 157497878

IUPAC6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile
SMILESCC[C@@H](C)Nc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.CC[C@@H](C)Nc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F.C[C@H](CN)Nc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.C[C@H](CN1C(=O)c2ccccc2C1=O)Nc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.N#Cc1cc(F)c(Cl)nc1Nc1ccc2ncccc2c1
InChIInChI=1S/C26H19FN6O2.C19H20FN5O.C19H18FN5.C18H17FN6.C15H8ClFN4/c1-15(14-33-25(34)19-6-2-3-7-20(19)26(33)35)30-24-21(27)12-17(13-28)23(32-24)31-18-8-9-22-16(11-18)5-4-10-29-22;1-3-11(2)23-19-15(20)10-14(17(21)26)18(25-19)24-13-6-7-16-12(9-13)5-4-8-22-16;1-3-12(2)23-19-16(20)10-14(11-21)18(25-19)24-15-6-7-17-13(9-15)5-4-8-22-17;1-11(9-20)23-18-15(19)8-13(10-21)17(25-18)24-14-4-5-16-12(7-14)3-2-6-22-16;16-14-12(17)7-10(8-18)15(21-14)20-11-3-4-13-9(6-11)2-1-5-19-13/h2-12,15H,14H2,1H3,(H2,30,31,32);4-11H,3H2,1-2H3,(H2,21,26)(H2,23,24,25);4-10,12H,3H2,1-2H3,(H2,23,24,25);2-8,11H,9,20H2,1H3,(H2,23,24,25);1-7H,(H,20,21)/t15-;11-;12-;11-;/m1111./s1
InChIKeyBYAVXYTUVOHQTM-HTOXHQELSA-N
MW1790.34 g/mol
LogP20.08
Rot. Bonds24

About 6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile

6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile (PubChem CID 157497878) has the molecular formula C97H82ClF5N26O3 and a molecular weight of 1790.34 g/mol. Its IUPAC name is 6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile
PubChem CID157497878
Molecular FormulaC97H82ClF5N26O3
Molecular Weight1790.34 g/mol
Exact Mass1788.67
IUPAC Name6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile
SMILESCC[C@@H](C)Nc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.CC[C@@H](C)Nc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F.C[C@H](CN)Nc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.C[C@H](CN1C(=O)c2ccccc2C1=O)Nc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.N#Cc1cc(F)c(Cl)nc1Nc1ccc2ncccc2c1
InChIInChI=1S/C26H19FN6O2.C19H20FN5O.C19H18FN5.C18H17FN6.C15H8ClFN4/c1-15(14-33-25(34)19-6-2-3-7-20(19)26(33)35)30-24-21(27)12-17(13-28)23(32-24)31-18-8-9-22-16(11-18)5-4-10-29-22;1-3-11(2)23-19-15(20)10-14(17(21)26)18(25-19)24-13-6-7-16-12(9-13)5-4-8-22-16;1-3-12(2)23-19-16(20)10-14(11-21)18(25-19)24-15-6-7-17-13(9-15)5-4-8-22-17;1-11(9-20)23-18-15(19)8-13(10-21)17(25-18)24-14-4-5-16-12(7-14)3-2-6-22-16;16-14-12(17)7-10(8-18)15(21-14)20-11-3-4-13-9(6-11)2-1-5-19-13/h2-12,15H,14H2,1H3,(H2,30,31,32);4-11H,3H2,1-2H3,(H2,21,26)(H2,23,24,25);4-10,12H,3H2,1-2H3,(H2,23,24,25);2-8,11H,9,20H2,1H3,(H2,23,24,25);1-7H,(H,20,21)/t15-;11-;12-;11-;/m1111./s1
InChIKeyBYAVXYTUVOHQTM-HTOXHQELSA-N
XLogP20.08
TPSA438.82 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001790.34
LogP ≤ 520.08
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 123570338
6-(4-aminobutan-2-ylamino)-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67510408
6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67509066
6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 69284810
6-[(1-amino-4,4-difluoro-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 67514681
6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide
CID 67775101
CID 160882089
CID 160882089
6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide
CID 135305660
2-[[5-cyano-4-methoxy-6-(quinolin-6-ylamino)pyrimidin-2-yl]amino]-3-methylbutanamide
CID 77405098
6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305750
3-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-(quinolin-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 72705614
(1-amino-1-oxobutan-2-yl)-[5-carbamoyl-4-(quinolin-7-ylamino)pyrimidin-2-yl]-dimethylazanium
CID 123760565

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile (CID 157497878) is 6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile is CC[C@@H](C)Nc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.CC[C@@H](C)Nc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)cc1F.C[C@H](CN)Nc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.C[C@H](CN1C(=O)c2ccccc2C1=O)Nc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F.N#Cc1cc(F)c(Cl)nc1Nc1ccc2ncccc2c1.
What is the InChIKey of 6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile?
The InChIKey is BYAVXYTUVOHQTM-HTOXHQELSA-N. The full InChI is InChI=1S/C26H19FN6O2.C19H20FN5O.C19H18FN5.C18H17FN6.C15H8ClFN4/c1-15(14-33-25(34)19-6-2-3-7-20(19)26(33)35)30-24-21(27)12-17(13-28)23(32-24)31-18-8-9-22-16(11-18)5-4-10-29-22;1-3-11(2)23-19-15(20)10-14(17(21)26)18(25-19)24-13-6-7-16-12(9-13)5-4-8-22-16;1-3-12(2)23-19-16(20)10-14(11-21)18(25-19)24-15-6-7-17-13(9-15)5-4-8-22-17;1-11(9-20)23-18-15(19)8-13(10-21)17(25-18)24-14-4-5-16-12(7-14)3-2-6-22-16;16-14-12(17)7-10(8-18)15(21-14)20-11-3-4-13-9(6-11)2-1-5-19-13/h2-12,15H,14H2,1H3,(H2,30,31,32);4-11H,3H2,1-2H3,(H2,21,26)(H2,23,24,25);4-10,12H,3H2,1-2H3,(H2,23,24,25);2-8,11H,9,20H2,1H3,(H2,23,24,25);1-7H,(H,20,21)/t15-;11-;12-;11-;/m1111./s1.
What are the key properties of 6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile?
6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile has a molecular weight of 1790.34 g/mol, XLogP of 20.08, 24 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-1-aminopropan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-butan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide;6-chloro-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile;6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]amino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 157497878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).