1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

C21H24N6O2 — CID 56967764

IUPAC1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)c3cc4ncccc4[nH]3)CC1)C2
InChIInChI=1S/C21H24N6O2/c1-13(2)27-18-14(12-23-27)11-21(25-19(18)28)5-8-26(9-6-21)20(29)17-10-16-15(24-17)4-3-7-22-16/h3-4,7,10,12-13,24H,5-6,8-9,11H2,1-2H3,(H,25,28)
InChIKeyIOBQZXIUUDKZNT-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.30
Rot. Bonds2

About 1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 56967764) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID56967764
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)c3cc4ncccc4[nH]3)CC1)C2
InChIInChI=1S/C21H24N6O2/c1-13(2)27-18-14(12-23-27)11-21(25-19(18)28)5-8-26(9-6-21)20(29)17-10-16-15(24-17)4-3-7-22-16/h3-4,7,10,12-13,24H,5-6,8-9,11H2,1-2H3,(H,25,28)
InChIKeyIOBQZXIUUDKZNT-UHFFFAOYSA-N
XLogP2.30
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (CID 56967764) is 1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)c3cc4ncccc4[nH]3)CC1)C2.
What is the InChIKey of 1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is IOBQZXIUUDKZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13(2)27-18-14(12-23-27)11-21(25-19(18)28)5-8-26(9-6-21)20(29)17-10-16-15(24-17)4-3-7-22-16/h3-4,7,10,12-13,24H,5-6,8-9,11H2,1-2H3,(H,25,28).
What are the key properties of 1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 392.46 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1'-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 56967764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).