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

C21H22N8O4 — CID 177200314

IUPACN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccn[nH]3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12
InChIInChI=1S/C21H22N8O4/c1-22-13-10-15(24-12-4-3-9-29(21(12)31)16-7-8-23-27-16)26-18-17(13)28-33-19(18)20(30)25-11-5-6-14(11)32-2/h3-4,7-11,14,22H,5-6H2,1-2H3,(H,23,27)(H,24,26)(H,25,30)/t11-,14-/m1/s1
InChIKeyYZKKBADFUBZFDL-BXUZGUMPSA-N
MW450.46 g/mol
LogP1.79
Rot. Bonds7

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

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 177200314) has the molecular formula C21H22N8O4 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
PubChem CID177200314
Molecular FormulaC21H22N8O4
Molecular Weight450.46 g/mol
Exact Mass450.18
IUPAC NameN-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccn[nH]3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12
InChIInChI=1S/C21H22N8O4/c1-22-13-10-15(24-12-4-3-9-29(21(12)31)16-7-8-23-27-16)26-18-17(13)28-33-19(18)20(30)25-11-5-6-14(11)32-2/h3-4,7-11,14,22H,5-6H2,1-2H3,(H,23,27)(H,24,26)(H,25,30)/t11-,14-/m1/s1
InChIKeyYZKKBADFUBZFDL-BXUZGUMPSA-N
XLogP1.79
TPSA151.99 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200226
5-[[1-[(3R,4R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200304
5-[[1-[(3S)-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 177200043
N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200342
[3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate
CID 177200263
N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200182
N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200241
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
tert-butyl N-[3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyridazin-3-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate
CID 177200447
tert-butyl N-[5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-3-[[(1R,2R)-2-(trideuteriomethoxy)cyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-(trideuteriomethyl)carbamate
CID 177200017
tert-butyl (2S)-3-[4-[3-[[3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridin-5-yl]amino]-2-oxo-1-pyridinyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 177200327
N-(2-methoxycyclobutyl)-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605307

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[2-oxo-1-(1H-pyrazol-5-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-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (CID 177200314) is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[2-oxo-1-(1H-pyrazol-5-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-[[2-oxo-1-(1H-pyrazol-5-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-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccn[nH]3)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-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is YZKKBADFUBZFDL-BXUZGUMPSA-N. The full InChI is InChI=1S/C21H22N8O4/c1-22-13-10-15(24-12-4-3-9-29(21(12)31)16-7-8-23-27-16)26-18-17(13)28-33-19(18)20(30)25-11-5-6-14(11)32-2/h3-4,7-11,14,22H,5-6H2,1-2H3,(H,23,27)(H,24,26)(H,25,30)/t11-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 1.79, 7 rotatable bonds, 4 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-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 177200314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).