trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C27H24FN7O2 — CID 142447621

IUPACtrans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@]3(C)C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C27H24FN7O2/c1-14-6-16(25-30-4-5-37-25)7-20(28)23(14)21-8-15-9-22(31-12-18(15)24(29)33-21)34-26(36)27(2)10-19(27)17-11-32-35(3)13-17/h4-9,11-13,19H,10H2,1-3H3,(H2,29,33)(H,31,34,36)/t19-,27+/m0/s1
InChIKeyIYTCUCBWXQRELN-UZTOHYMASA-N
MW497.53 g/mol
LogP4.85
Rot. Bonds5

About trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 142447621) has the molecular formula C27H24FN7O2 and a molecular weight of 497.53 g/mol. Its IUPAC name is trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID142447621
Molecular FormulaC27H24FN7O2
Molecular Weight497.53 g/mol
Exact Mass497.20
IUPAC Nametrans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@]3(C)C[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C27H24FN7O2/c1-14-6-16(25-30-4-5-37-25)7-20(28)23(14)21-8-15-9-22(31-12-18(15)24(29)33-21)34-26(36)27(2)10-19(27)17-11-32-35(3)13-17/h4-9,11-13,19H,10H2,1-3H3,(H2,29,33)(H,31,34,36)/t19-,27+/m0/s1
InChIKeyIYTCUCBWXQRELN-UZTOHYMASA-N
XLogP4.85
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(4-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)isoquinolin-6-yl)oxazole
CID 118660670
2-((8-amino-7-fluoro-6-(4-methyl-6-(oxazol-2-yl)pyridin-3-yl)isoquinolin-3-yl)amino)-4,6-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one
CID 135342876
(1S,2S,3S)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135343616
1-(2,2-difluoropropyl)-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]piperidine-4-carboxamide
CID 132056242
(1R,2S,3R)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135342716
(1R,2R,3R)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135342978
(1S,2R,3S)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135343178
4-(dimethylamino)-N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559074
N-[8-fluoro-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138559110
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559116
(3S,4S)-3-fluoro-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 138559121
4-[2,2-difluoroethyl(methyl)amino]-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]piperidine-1-carboxamide
CID 138559122

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 142447621) is trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@]3(C)C[C@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is IYTCUCBWXQRELN-UZTOHYMASA-N. The full InChI is InChI=1S/C27H24FN7O2/c1-14-6-16(25-30-4-5-37-25)7-20(28)23(14)21-8-15-9-22(31-12-18(15)24(29)33-21)34-26(36)27(2)10-19(27)17-11-32-35(3)13-17/h4-9,11-13,19H,10H2,1-3H3,(H2,29,33)(H,31,34,36)/t19-,27+/m0/s1.
What are the key properties of trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 142447621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).