5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C23H26N6O3 — CID 70675160

IUPAC5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3cnc4[nH]c(C(N)=O)cc4c3)CC1)C2
InChIInChI=1S/C23H26N6O3/c1-13(2)29-19-16(12-26-29)9-23(10-18(19)30)3-5-28(6-4-23)22(32)15-7-14-8-17(20(24)31)27-21(14)25-11-15/h7-8,11-13H,3-6,9-10H2,1-2H3,(H2,24,31)(H,25,27)
InChIKeyBVCUPNSMLOKELV-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.49
Rot. Bonds3

About 5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 70675160) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID70675160
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3cnc4[nH]c(C(N)=O)cc4c3)CC1)C2
InChIInChI=1S/C23H26N6O3/c1-13(2)29-19-16(12-26-29)9-23(10-18(19)30)3-5-28(6-4-23)22(32)15-7-14-8-17(20(24)31)27-21(14)25-11-15/h7-8,11-13H,3-6,9-10H2,1-2H3,(H2,24,31)(H,25,27)
InChIKeyBVCUPNSMLOKELV-UHFFFAOYSA-N
XLogP2.49
TPSA126.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 70675160) is 5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3cnc4[nH]c(C(N)=O)cc4c3)CC1)C2.
What is the InChIKey of 5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is BVCUPNSMLOKELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-13(2)29-19-16(12-26-29)9-23(10-18(19)30)3-5-28(6-4-23)22(32)15-7-14-8-17(20(24)31)27-21(14)25-11-15/h7-8,11-13H,3-6,9-10H2,1-2H3,(H2,24,31)(H,25,27).
What are the key properties of 5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-oxo-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 70675160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).