1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one

C24H28N6O2 — CID 67515572

IUPAC1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4c(N)nccc4c3)CC1)C2
InChIInChI=1S/C24H28N6O2/c1-23(2,3)30-14-17-13-24(27-21(31)19(17)28-30)7-10-29(11-8-24)22(32)16-4-5-18-15(12-16)6-9-26-20(18)25/h4-6,9,12,14H,7-8,10-11,13H2,1-3H3,(H2,25,26)(H,27,31)
InChIKeyHKXDPIHMBBAVDY-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.73
Rot. Bonds1

About 1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one

1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 67515572) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID67515572
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4c(N)nccc4c3)CC1)C2
InChIInChI=1S/C24H28N6O2/c1-23(2,3)30-14-17-13-24(27-21(31)19(17)28-30)7-10-29(11-8-24)22(32)16-4-5-18-15(12-16)6-9-26-20(18)25/h4-6,9,12,14H,7-8,10-11,13H2,1-3H3,(H2,25,26)(H,27,31)
InChIKeyHKXDPIHMBBAVDY-UHFFFAOYSA-N
XLogP2.73
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (CID 67515572) is 1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4c(N)nccc4c3)CC1)C2.
What is the InChIKey of 1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is HKXDPIHMBBAVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-23(2,3)30-14-17-13-24(27-21(31)19(17)28-30)7-10-29(11-8-24)22(32)16-4-5-18-15(12-16)6-9-26-20(18)25/h4-6,9,12,14H,7-8,10-11,13H2,1-3H3,(H2,25,26)(H,27,31).
What are the key properties of 1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 432.53 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-aminoisoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 67515572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).