1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

C20H25N7O2 — CID 91937946

IUPAC1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=CC4C=NNC4N=C3)CC1)C2
InChIInChI=1S/C20H25N7O2/c1-12(2)27-16-15(11-23-27)8-20(24-18(16)28)3-5-26(6-4-20)19(29)14-7-13-10-22-25-17(13)21-9-14/h7,9-13,17,25H,3-6,8H2,1-2H3,(H,24,28)
InChIKeyXPBFKHLWNBYPAN-UHFFFAOYSA-N
MW395.47 g/mol
LogP0.65
Rot. Bonds2

About 1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937946) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91937946
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=CC4C=NNC4N=C3)CC1)C2
InChIInChI=1S/C20H25N7O2/c1-12(2)27-16-15(11-23-27)8-20(24-18(16)28)3-5-26(6-4-20)19(29)14-7-13-10-22-25-17(13)21-9-14/h7,9-13,17,25H,3-6,8H2,1-2H3,(H,24,28)
InChIKeyXPBFKHLWNBYPAN-UHFFFAOYSA-N
XLogP0.65
TPSA103.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one with MolForge

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Related Compounds

1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937937
1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937938
1'-(7-chloro-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937939
1'-(4-methoxy-3a,7a-dihydro-1H-indazole-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937940
1'-(7-ethyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937942
1'-(3-ethyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937943
1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937944
5-(7-oxo-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-3a,7a-dihydro-1H-indazole-3-carbonitrile
CID 91937947
5-(7-oxo-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-3a,7a-dihydro-1H-indazole-3-carboxamide
CID 91937949
1'-(3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937952
1'-(3-chloro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937953
1'-(3-chloro-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 91937955

Frequently Asked Questions

What is the IUPAC name of 1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937946) is 1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=CC4C=NNC4N=C3)CC1)C2.
What is the InChIKey of 1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is XPBFKHLWNBYPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-12(2)27-16-15(11-23-27)8-20(24-18(16)28)3-5-26(6-4-20)19(29)14-7-13-10-22-25-17(13)21-9-14/h7,9-13,17,25H,3-6,8H2,1-2H3,(H,24,28).
What are the key properties of 1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 395.47 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3a,7a-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).