2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

C16H17N7O — CID 156726504

IUPAC2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESNC(=O)N1CCC2(CCn3nc(-c4cnc5[nH]ncc5c4)cc32)C1
InChIInChI=1S/C16H17N7O/c17-15(24)22-3-1-16(9-22)2-4-23-13(16)6-12(21-23)10-5-11-8-19-20-14(11)18-7-10/h5-8H,1-4,9H2,(H2,17,24)(H,18,19,20)
InChIKeyQGWPHHOGXVHJAH-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.25
Rot. Bonds1

About 2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 156726504) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
PubChem CID156726504
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESNC(=O)N1CCC2(CCn3nc(-c4cnc5[nH]ncc5c4)cc32)C1
InChIInChI=1S/C16H17N7O/c17-15(24)22-3-1-16(9-22)2-4-23-13(16)6-12(21-23)10-5-11-8-19-20-14(11)18-7-10/h5-8H,1-4,9H2,(H2,17,24)(H,18,19,20)
InChIKeyQGWPHHOGXVHJAH-UHFFFAOYSA-N
XLogP1.25
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid
CID 175779917
2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859438
2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859817
(4S)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164858927
N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide
CID 175692158
N-ethyl-2-(6-fluoroquinolin-3-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 175692242
2-(6-amino-5-phenylmethoxy-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859463
2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164858958
[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-(1H-imidazol-2-yl)methanone
CID 164859950
(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 175780152
2-[6-amino-5-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859442
2-quinolin-3-yl-N-(2,2,2-trifluoroethyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 175692684

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (CID 156726504) is 2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is NC(=O)N1CCC2(CCn3nc(-c4cnc5[nH]ncc5c4)cc32)C1.
What is the InChIKey of 2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is QGWPHHOGXVHJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c17-15(24)22-3-1-16(9-22)2-4-23-13(16)6-12(21-23)10-5-11-8-19-20-14(11)18-7-10/h5-8H,1-4,9H2,(H2,17,24)(H,18,19,20).
What are the key properties of 2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 156726504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).