1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

C24H27N5O3 — CID 91937951

IUPAC1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCOc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)cc12
InChIInChI=1S/C24H27N5O3/c1-15(2)29-20-18(14-26-29)13-24(27-21(20)30)7-10-28(11-8-24)23(31)17-5-4-16-6-9-25-22(32-3)19(16)12-17/h4-6,9,12,14-15H,7-8,10-11,13H2,1-3H3,(H,27,30)
InChIKeyNTWKKBDOFAUBIA-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.98
Rot. Bonds3

About 1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937951) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91937951
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCOc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)cc12
InChIInChI=1S/C24H27N5O3/c1-15(2)29-20-18(14-26-29)13-24(27-21(20)30)7-10-28(11-8-24)23(31)17-5-4-16-6-9-25-22(32-3)19(16)12-17/h4-6,9,12,14-15H,7-8,10-11,13H2,1-3H3,(H,27,30)
InChIKeyNTWKKBDOFAUBIA-UHFFFAOYSA-N
XLogP2.98
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937951) is 1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is COc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)cc12.
What is the InChIKey of 1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is NTWKKBDOFAUBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15(2)29-20-18(14-26-29)13-24(27-21(20)30)7-10-28(11-8-24)23(31)17-5-4-16-6-9-25-22(32-3)19(16)12-17/h4-6,9,12,14-15H,7-8,10-11,13H2,1-3H3,(H,27,30).
What are the key properties of 1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 433.51 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-methoxyisoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).