N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide

C24H25N7O4 — CID 177200192

IUPACN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
SMILESCNc1cc(N(C)c2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12
InChIInChI=1S/C24H25N7O4/c1-25-15-13-19(30(2)16-7-6-12-31(24(16)33)18-8-4-5-11-26-18)28-21-20(15)29-35-22(21)23(32)27-14-9-10-17(14)34-3/h4-8,11-14,17,25H,9-10H2,1-3H3,(H,27,32)/t14-,17-/m1/s1
InChIKeyJNOVUAXWACDHGM-RHSMWYFYSA-N
MW475.51 g/mol
LogP2.49
Rot. Bonds7

About N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 177200192) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
PubChem CID177200192
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC NameN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
SMILESCNc1cc(N(C)c2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12
InChIInChI=1S/C24H25N7O4/c1-25-15-13-19(30(2)16-7-6-12-31(24(16)33)18-8-4-5-11-26-18)28-21-20(15)29-35-22(21)23(32)27-14-9-10-17(14)34-3/h4-8,11-14,17,25H,9-10H2,1-3H3,(H,27,32)/t14-,17-/m1/s1
InChIKeyJNOVUAXWACDHGM-RHSMWYFYSA-N
XLogP2.49
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N',N'-dimethyl-N-[3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]ethane-1,2-diamine
CID 134804964
1-[4-[[3-(3-Methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 134805325
3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 134805681
3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-propan-2-ylpyridin-2-amine
CID 134805993
3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 134806643
3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 134806948
N-(2-methoxyethyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine
CID 134806956
N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine
CID 134808350
N-(3-imidazol-1-ylpropyl)-3-methyl-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134810992
3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
CID 134807742
5-[[1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200020
methyl 5-[[1-[(3S,4R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylate
CID 177200025

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (CID 177200192) is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is CNc1cc(N(C)c2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12.
What is the InChIKey of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is JNOVUAXWACDHGM-RHSMWYFYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-25-15-13-19(30(2)16-7-6-12-31(24(16)33)18-8-4-5-11-26-18)28-21-20(15)29-35-22(21)23(32)27-14-9-10-17(14)34-3/h4-8,11-14,17,25H,9-10H2,1-3H3,(H,27,32)/t14-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 177200192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).