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

C21H26N6O2 — CID 91937938

IUPAC1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-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)C3=CC4NC=CC4N=C3)CC1)C2
InChIInChI=1S/C21H26N6O2/c1-13(2)27-18-15(12-24-27)10-21(25-19(18)28)4-7-26(8-5-21)20(29)14-9-17-16(23-11-14)3-6-22-17/h3,6,9,11-13,16-17,22H,4-5,7-8,10H2,1-2H3,(H,25,28)
InChIKeyZMPVRIFDVCHSNA-UHFFFAOYSA-N
MW394.48 g/mol
LogP0.98
Rot. Bonds2

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

1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937938) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91937938
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-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)C3=CC4NC=CC4N=C3)CC1)C2
InChIInChI=1S/C21H26N6O2/c1-13(2)27-18-15(12-24-27)10-21(25-19(18)28)4-7-26(8-5-21)20(29)14-9-17-16(23-11-14)3-6-22-17/h3,6,9,11-13,16-17,22H,4-5,7-8,10H2,1-2H3,(H,25,28)
InChIKeyZMPVRIFDVCHSNA-UHFFFAOYSA-N
XLogP0.98
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937938) is 1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-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)C3=CC4NC=CC4N=C3)CC1)C2.
What is the InChIKey of 1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is ZMPVRIFDVCHSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-13(2)27-18-15(12-24-27)10-21(25-19(18)28)4-7-26(8-5-21)20(29)14-9-17-16(23-11-14)3-6-22-17/h3,6,9,11-13,16-17,22H,4-5,7-8,10H2,1-2H3,(H,25,28).
What are the key properties of 1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 394.48 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).