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

C23H25N5O2 — CID 56967825

IUPAC1'-(isoquinoline-7-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)c3ccc4ccncc4c3)CC1)C2
InChIInChI=1S/C23H25N5O2/c1-15(2)28-20-19(14-25-28)12-23(26-21(20)29)6-9-27(10-7-23)22(30)17-4-3-16-5-8-24-13-18(16)11-17/h3-5,8,11,13-15H,6-7,9-10,12H2,1-2H3,(H,26,29)
InChIKeyRZESKAYUIYZXNK-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.97
Rot. Bonds2

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

1'-(isoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 56967825) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1'-(isoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(isoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID56967825
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1'-(isoquinoline-7-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)c3ccc4ccncc4c3)CC1)C2
InChIInChI=1S/C23H25N5O2/c1-15(2)28-20-19(14-25-28)12-23(26-21(20)29)6-9-27(10-7-23)22(30)17-4-3-16-5-8-24-13-18(16)11-17/h3-5,8,11,13-15H,6-7,9-10,12H2,1-2H3,(H,26,29)
InChIKeyRZESKAYUIYZXNK-UHFFFAOYSA-N
XLogP2.97
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(isoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(isoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (CID 56967825) is 1'-(isoquinoline-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'-(isoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(isoquinoline-7-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)c3ccc4ccncc4c3)CC1)C2.
What is the InChIKey of 1'-(isoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is RZESKAYUIYZXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15(2)28-20-19(14-25-28)12-23(26-21(20)29)6-9-27(10-7-23)22(30)17-4-3-16-5-8-24-13-18(16)11-17/h3-5,8,11,13-15H,6-7,9-10,12H2,1-2H3,(H,26,29).
What are the key properties of 1'-(isoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
1'-(isoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 403.49 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(isoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 56967825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).