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

C21H24N6O2 — CID 91937937

IUPAC1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)c3cnc4c(c3)=CCN=4)CC1)C2
InChIInChI=1S/C21H24N6O2/c1-13(2)27-17-16(12-24-27)10-21(25-19(17)28)4-7-26(8-5-21)20(29)15-9-14-3-6-22-18(14)23-11-15/h3,9,11-13H,4-8,10H2,1-2H3,(H,25,28)
InChIKeyRRPFGHAVLZQCAP-UHFFFAOYSA-N
MW392.46 g/mol
LogP0.23
Rot. Bonds2

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

1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937937) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91937937
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)c3cnc4c(c3)=CCN=4)CC1)C2
InChIInChI=1S/C21H24N6O2/c1-13(2)27-17-16(12-24-27)10-21(25-19(17)28)4-7-26(8-5-21)20(29)15-9-14-3-6-22-18(14)23-11-15/h3,9,11-13H,4-8,10H2,1-2H3,(H,25,28)
InChIKeyRRPFGHAVLZQCAP-UHFFFAOYSA-N
XLogP0.23
TPSA92.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937937) is 1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-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'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)c3cnc4c(c3)=CCN=4)CC1)C2.
What is the InChIKey of 1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is RRPFGHAVLZQCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13(2)27-17-16(12-24-27)10-21(25-19(17)28)4-7-26(8-5-21)20(29)15-9-14-3-6-22-18(14)23-11-15/h3,9,11-13H,4-8,10H2,1-2H3,(H,25,28).
What are the key properties of 1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-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 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1'-(2H-pyrrolo[2,3-b]pyridine-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).