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

C27H24FN7O2 — CID 139468745

IUPAC(1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H]3[C@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C27H24FN7O2/c1-13-6-16(27-30-4-5-37-27)7-19(28)22(13)20-8-15-9-21(31-11-18(15)25(29)33-20)34-26(36)24-14(2)23(24)17-10-32-35(3)12-17/h4-12,14,23-24H,1-3H3,(H2,29,33)(H,31,34,36)/t14-,23-,24+/m1/s1
InChIKeyIMGRUVVOGVRQSD-OGUJYRPASA-N
MW497.53 g/mol
LogP4.70
Rot. Bonds5

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

(1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 139468745) has the molecular formula C27H24FN7O2 and a molecular weight of 497.53 g/mol. Its IUPAC name is (1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID139468745
Molecular FormulaC27H24FN7O2
Molecular Weight497.53 g/mol
Exact Mass497.20
IUPAC Name(1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H]3[C@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C27H24FN7O2/c1-13-6-16(27-30-4-5-37-27)7-19(28)22(13)20-8-15-9-21(31-11-18(15)25(29)33-20)34-26(36)24-14(2)23(24)17-10-32-35(3)12-17/h4-12,14,23-24H,1-3H3,(H2,29,33)(H,31,34,36)/t14-,23-,24+/m1/s1
InChIKeyIMGRUVVOGVRQSD-OGUJYRPASA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 139468745) is (1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H]3[C@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of (1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is IMGRUVVOGVRQSD-OGUJYRPASA-N. The full InChI is InChI=1S/C27H24FN7O2/c1-13-6-16(27-30-4-5-37-27)7-19(28)22(13)20-8-15-9-21(31-11-18(15)25(29)33-20)34-26(36)24-14(2)23(24)17-10-32-35(3)12-17/h4-12,14,23-24H,1-3H3,(H2,29,33)(H,31,34,36)/t14-,23-,24+/m1/s1.
What are the key properties of (1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
(1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139468745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).