N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C16H23N5O2 — CID 120943720

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Cn1ncc2cc(C(=O)NCC3CNCC3O)cnc21
InChIInChI=1S/C16H23N5O2/c1-10(2)9-21-15-11(7-20-21)3-12(5-18-15)16(23)19-6-13-4-17-8-14(13)22/h3,5,7,10,13-14,17,22H,4,6,8-9H2,1-2H3,(H,19,23)
InChIKeyPEVUGVHFKVNFCE-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.40
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 120943720) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID120943720
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Cn1ncc2cc(C(=O)NCC3CNCC3O)cnc21
InChIInChI=1S/C16H23N5O2/c1-10(2)9-21-15-11(7-20-21)3-12(5-18-15)16(23)19-6-13-4-17-8-14(13)22/h3,5,7,10,13-14,17,22H,4,6,8-9H2,1-2H3,(H,19,23)
InChIKeyPEVUGVHFKVNFCE-UHFFFAOYSA-N
XLogP0.40
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120944386
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 109381046
N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 95280574
N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 166204525
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 124589357
[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
CID 166191038
N-(1H-indazol-5-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51100658
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 120884055
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701
N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220823
1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 126769097
N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120886892

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 120943720) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)Cn1ncc2cc(C(=O)NCC3CNCC3O)cnc21.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is PEVUGVHFKVNFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10(2)9-21-15-11(7-20-21)3-12(5-18-15)16(23)19-6-13-4-17-8-14(13)22/h3,5,7,10,13-14,17,22H,4,6,8-9H2,1-2H3,(H,19,23).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 120943720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).