N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide

C21H27N7O2 — CID 126480642

IUPACN-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@H]1CCN(c2nc(C(=O)Nc3cc4cn(C)nc4nc3N3CCCCC3)co2)C1
InChIInChI=1S/C21H27N7O2/c1-14-6-9-28(11-14)21-23-17(13-30-21)20(29)22-16-10-15-12-26(2)25-18(15)24-19(16)27-7-4-3-5-8-27/h10,12-14H,3-9,11H2,1-2H3,(H,22,29)/t14-/m0/s1
InChIKeyCBISLSBYHHWKNO-AWEZNQCLSA-N
MW409.49 g/mol
LogP3.05
Rot. Bonds4

About N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide

N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide (PubChem CID 126480642) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide
PubChem CID126480642
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC NameN-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@H]1CCN(c2nc(C(=O)Nc3cc4cn(C)nc4nc3N3CCCCC3)co2)C1
InChIInChI=1S/C21H27N7O2/c1-14-6-9-28(11-14)21-23-17(13-30-21)20(29)22-16-10-15-12-26(2)25-18(15)24-19(16)27-7-4-3-5-8-27/h10,12-14H,3-9,11H2,1-2H3,(H,22,29)/t14-/m0/s1
InChIKeyCBISLSBYHHWKNO-AWEZNQCLSA-N
XLogP3.05
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide
CID 123930185
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide;sulfane
CID 160845797
2-(3-ethylpyrrolidin-1-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
CID 123882569
N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide
CID 123683281
2-[2-(methylamino)-4-pyridinyl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118226407
6-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)pyridine-2-carboxamide
CID 118233202
2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
CID 118226401
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
CID 174334214
N-(2-amino-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)-2-(2-oxo-1H-pyridin-3-yl)-1,3-oxazole-4-carboxamide
CID 163476093
N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperazin-1-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 118608416
N-[2-[(6R)-2-hydroxy-2,6-dimethylmorpholin-4-yl]-5-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 130339798
N-[6-(cyclohexylamino)-2-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 144883766

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide (CID 126480642) is N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide is C[C@H]1CCN(c2nc(C(=O)Nc3cc4cn(C)nc4nc3N3CCCCC3)co2)C1.
What is the InChIKey of N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is CBISLSBYHHWKNO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-14-6-9-28(11-14)21-23-17(13-30-21)20(29)22-16-10-15-12-26(2)25-18(15)24-19(16)27-7-4-3-5-8-27/h10,12-14H,3-9,11H2,1-2H3,(H,22,29)/t14-/m0/s1.
What are the key properties of N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide?
N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-piperidin-1-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[(3S)-3-methylpyrrolidin-1-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126480642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).