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

C22H27N7O3 — CID 91937949

IUPAC5-(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
SMILESCC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=CC4C(C(N)=O)=NNC4C=C3)CC1)C2
InChIInChI=1S/C22H27N7O3/c1-12(2)29-18-14(11-24-29)10-22(25-20(18)31)5-7-28(8-6-22)21(32)13-3-4-16-15(9-13)17(19(23)30)27-26-16/h3-4,9,11-12,15-16,26H,5-8,10H2,1-2H3,(H2,23,30)(H,25,31)
InChIKeyQYEDTMYLUGJKJM-UHFFFAOYSA-N
MW437.50 g/mol
LogP0.04
Rot. Bonds3

About 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

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 (PubChem CID 91937949) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID91937949
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name5-(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
SMILESCC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=CC4C(C(N)=O)=NNC4C=C3)CC1)C2
InChIInChI=1S/C22H27N7O3/c1-12(2)29-18-14(11-24-29)10-22(25-20(18)31)5-7-28(8-6-22)21(32)13-3-4-16-15(9-13)17(19(23)30)27-26-16/h3-4,9,11-12,15-16,26H,5-8,10H2,1-2H3,(H2,23,30)(H,25,31)
InChIKeyQYEDTMYLUGJKJM-UHFFFAOYSA-N
XLogP0.04
TPSA134.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=CC4C(C(N)=O)=NNC4C=C3)CC1)C2.
What is the InChIKey of 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?
The InChIKey is QYEDTMYLUGJKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-12(2)29-18-14(11-24-29)10-22(25-20(18)31)5-7-28(8-6-22)21(32)13-3-4-16-15(9-13)17(19(23)30)27-26-16/h3-4,9,11-12,15-16,26H,5-8,10H2,1-2H3,(H2,23,30)(H,25,31).
What are the key properties of 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?
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 has a molecular weight of 437.50 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91937949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).