N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C27H32FN7O2 — CID 135204651

IUPACN-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCCN[C@@H]5C)c34)cc2F)no1
InChIInChI=1S/C27H32FN7O2/c1-15(2)11-19-13-23(35-37-19)27(36)31-14-18-7-6-17(12-21(18)28)20-8-10-30-25-24(20)26(34-33-25)32-22-5-4-9-29-16(22)3/h6-8,10,12-13,15-16,22,29H,4-5,9,11,14H2,1-3H3,(H,31,36)(H2,30,32,33,34)/t16-,22-/m1/s1
InChIKeyMAZXEBBALZLHCH-OPAMFIHVSA-N
MW505.60 g/mol
LogP4.43
Rot. Bonds8

About N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 135204651) has the molecular formula C27H32FN7O2 and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID135204651
Molecular FormulaC27H32FN7O2
Molecular Weight505.60 g/mol
Exact Mass505.26
IUPAC NameN-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCCN[C@@H]5C)c34)cc2F)no1
InChIInChI=1S/C27H32FN7O2/c1-15(2)11-19-13-23(35-37-19)27(36)31-14-18-7-6-17(12-21(18)28)20-8-10-30-25-24(20)26(34-33-25)32-22-5-4-9-29-16(22)3/h6-8,10,12-13,15-16,22,29H,4-5,9,11,14H2,1-3H3,(H,31,36)(H2,30,32,33,34)/t16-,22-/m1/s1
InChIKeyMAZXEBBALZLHCH-OPAMFIHVSA-N
XLogP4.43
TPSA120.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[[4-[3-[[(2R,3R)-1-(dimethylcarbamoyl)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 135204476
N-[[4-[3-[[(1S,2S)-2-aminocyclohexyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-5-tert-butyl-1,2-oxazole-3-carboxamide
CID 135204339
5-tert-butyl-N-[[2-fluoro-4-[3-[[(1R,2R)-2-(prop-2-enoylamino)cyclohexyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 135204761
5-tert-butyl-N-[[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 135205283
5-ethyl-N-[[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 135205555
N-[[2-fluoro-4-[3-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 135204639
N-[[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]benzamide
CID 135204311
(2R,3R)-3-[[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]amino]-2-methylpiperidine-1-carbonyl cyanide
CID 135210111
N-[[2-fluoro-4-[3-[(1-prop-2-enoylpyrrolidin-3-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 135205138
2-tert-butyl-N-[[4-[3-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,3-oxazole-4-carboxamide
CID 135204626
N-[[2-fluoro-4-[3-[(1-prop-2-enoylpyrrolidin-3-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 135204183
4-cyclopropyl-N-[[2-fluoro-4-[3-[[(3R)-1-(3-methyloxetane-3-carbonyl)pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]benzamide
CID 135205456

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 135204651) is N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCc2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCCN[C@@H]5C)c34)cc2F)no1.
What is the InChIKey of N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MAZXEBBALZLHCH-OPAMFIHVSA-N. The full InChI is InChI=1S/C27H32FN7O2/c1-15(2)11-19-13-23(35-37-19)27(36)31-14-18-7-6-17(12-21(18)28)20-8-10-30-25-24(20)26(34-33-25)32-22-5-4-9-29-16(22)3/h6-8,10,12-13,15-16,22,29H,4-5,9,11,14H2,1-3H3,(H,31,36)(H2,30,32,33,34)/t16-,22-/m1/s1.
What are the key properties of N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 4.43, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[3-[[(2R,3R)-2-methylpiperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135204651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).