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

C23H30N6O2 — CID 91937943

IUPAC1'-(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
SMILESCCC1=NNC2C=CC(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)=CC12
InChIInChI=1S/C23H30N6O2/c1-4-18-17-11-15(5-6-19(17)27-26-18)22(31)28-9-7-23(8-10-28)12-16-13-24-29(14(2)3)20(16)21(30)25-23/h5-6,11,13-14,17,19,27H,4,7-10,12H2,1-3H3,(H,25,30)
InChIKeyDFRDGDSVICUFHU-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.96
Rot. Bonds3

About 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

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 (PubChem CID 91937943) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1'-(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
PubChem CID91937943
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name1'-(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
SMILESCCC1=NNC2C=CC(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)=CC12
InChIInChI=1S/C23H30N6O2/c1-4-18-17-11-15(5-6-19(17)27-26-18)22(31)28-9-7-23(8-10-28)12-16-13-24-29(14(2)3)20(16)21(30)25-23/h5-6,11,13-14,17,19,27H,4,7-10,12H2,1-3H3,(H,25,30)
InChIKeyDFRDGDSVICUFHU-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'-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1=NNC2C=CC(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)=CC12.
What is the InChIKey of 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?
The InChIKey is DFRDGDSVICUFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-4-18-17-11-15(5-6-19(17)27-26-18)22(31)28-9-7-23(8-10-28)12-16-13-24-29(14(2)3)20(16)21(30)25-23/h5-6,11,13-14,17,19,27H,4,7-10,12H2,1-3H3,(H,25,30).
What are the key properties of 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?
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 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'-(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 is sourced from PubChem (CID 91937943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).