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

C23H30N6O2 — CID 91937942

IUPAC1'-(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
SMILESCCC1=CC(C(=O)N2CCC3(CC2)Cc2cnn(C(C)C)c2C(=O)N3)=CC2C=NNC12
InChIInChI=1S/C23H30N6O2/c1-4-15-9-16(10-17-12-24-27-19(15)17)22(31)28-7-5-23(6-8-28)11-18-13-25-29(14(2)3)20(18)21(30)26-23/h9-10,12-14,17,19,27H,4-8,11H2,1-3H3,(H,26,30)
InChIKeyWINCVVXFDFYYCF-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.96
Rot. Bonds3

About 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

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 (PubChem CID 91937942) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1'-(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
PubChem CID91937942
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name1'-(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
SMILESCCC1=CC(C(=O)N2CCC3(CC2)Cc2cnn(C(C)C)c2C(=O)N3)=CC2C=NNC12
InChIInChI=1S/C23H30N6O2/c1-4-15-9-16(10-17-12-24-27-19(15)17)22(31)28-7-5-23(6-8-28)11-18-13-25-29(14(2)3)20(18)21(30)26-23/h9-10,12-14,17,19,27H,4-8,11H2,1-3H3,(H,26,30)
InChIKeyWINCVVXFDFYYCF-UHFFFAOYSA-N
XLogP1.96
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1=CC(C(=O)N2CCC3(CC2)Cc2cnn(C(C)C)c2C(=O)N3)=CC2C=NNC12.
What is the InChIKey of 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?
The InChIKey is WINCVVXFDFYYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-4-15-9-16(10-17-12-24-27-19(15)17)22(31)28-7-5-23(6-8-28)11-18-13-25-29(14(2)3)20(18)21(30)26-23/h9-10,12-14,17,19,27H,4-8,11H2,1-3H3,(H,26,30).
What are the key properties of 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?
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 has a molecular weight of 422.53 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91937942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).