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

C26H24N8O2 — CID 139469027

IUPAC(1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@H]3CC3Cc3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C26H24N8O2/c1-14-5-22(26-28-3-4-36-26)29-11-19(14)21-8-17-9-23(30-12-20(17)24(27)32-21)33-25(35)18-7-16(18)6-15-10-31-34(2)13-15/h3-5,8-13,16,18H,6-7H2,1-2H3,(H2,27,32)(H,30,33,35)/t16?,18-/m0/s1
InChIKeyOXAOZJRCKODKLW-DAFXYXGESA-N
MW480.53 g/mol
LogP3.79
Rot. Bonds6

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

(1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 139469027) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is (1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID139469027
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name(1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@H]3CC3Cc3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C26H24N8O2/c1-14-5-22(26-28-3-4-36-26)29-11-19(14)21-8-17-9-23(30-12-20(17)24(27)32-21)33-25(35)18-7-16(18)6-15-10-31-34(2)13-15/h3-5,8-13,16,18H,6-7H2,1-2H3,(H2,27,32)(H,30,33,35)/t16?,18-/m0/s1
InChIKeyOXAOZJRCKODKLW-DAFXYXGESA-N
XLogP3.79
TPSA137.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 139469027) is (1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is Cc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@H]3CC3Cc3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of (1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is OXAOZJRCKODKLW-DAFXYXGESA-N. The full InChI is InChI=1S/C26H24N8O2/c1-14-5-22(26-28-3-4-36-26)29-11-19(14)21-8-17-9-23(30-12-20(17)24(27)32-21)33-25(35)18-7-16(18)6-15-10-31-34(2)13-15/h3-5,8-13,16,18H,6-7H2,1-2H3,(H2,27,32)(H,30,33,35)/t16?,18-/m0/s1.
What are the key properties of (1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
(1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 139469027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).