N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

C18H25N5O — CID 138382520

IUPACN-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NCc1[nH]nc2ncccc12)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C18H25N5O/c24-17(18(8-2-1-3-9-18)23-11-4-5-12-23)20-13-15-14-7-6-10-19-16(14)22-21-15/h6-7,10H,1-5,8-9,11-13H2,(H,20,24)(H,19,21,22)
InChIKeyPYDSFLLQNDXUAO-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.37
Rot. Bonds4

About N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 138382520) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID138382520
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NCc1[nH]nc2ncccc12)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C18H25N5O/c24-17(18(8-2-1-3-9-18)23-11-4-5-12-23)20-13-15-14-7-6-10-19-16(14)22-21-15/h6-7,10H,1-5,8-9,11-13H2,(H,20,24)(H,19,21,22)
InChIKeyPYDSFLLQNDXUAO-UHFFFAOYSA-N
XLogP2.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 154919007
2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
CID 138385422
1-cyclopropyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 138383819
2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
CID 138809856
(3R,6S)-1-acetyl-6-amino-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)azepane-3-carboxamide
CID 165417779
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 138380473
5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 138387015
2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 138381067
1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 138806208
N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1-carboxamide
CID 138380048
4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
CID 138385789
6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 138386065

Frequently Asked Questions

What is the IUPAC name of N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 138382520) is N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is O=C(NCc1[nH]nc2ncccc12)C1(N2CCCC2)CCCCC1.
What is the InChIKey of N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is PYDSFLLQNDXUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c24-17(18(8-2-1-3-9-18)23-11-4-5-12-23)20-13-15-14-7-6-10-19-16(14)22-21-15/h6-7,10H,1-5,8-9,11-13H2,(H,20,24)(H,19,21,22).
What are the key properties of N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 138382520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).