1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one

C26H28N6O2 — CID 69188184

IUPAC1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one
SMILESCC1(C)CN(C(=O)c2ccnc(N3CCC4(CC3)NC(=O)c3ccccc34)c2)Cc2cn[nH]c21
InChIInChI=1S/C26H28N6O2/c1-25(2)16-32(15-18-14-28-30-22(18)25)24(34)17-7-10-27-21(13-17)31-11-8-26(9-12-31)20-6-4-3-5-19(20)23(33)29-26/h3-7,10,13-14H,8-9,11-12,15-16H2,1-2H3,(H,28,30)(H,29,33)
InChIKeyBPYZSNQAIWHSPX-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.98
Rot. Bonds2

About 1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one

1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one (PubChem CID 69188184) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one
PubChem CID69188184
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one
SMILESCC1(C)CN(C(=O)c2ccnc(N3CCC4(CC3)NC(=O)c3ccccc34)c2)Cc2cn[nH]c21
InChIInChI=1S/C26H28N6O2/c1-25(2)16-32(15-18-14-28-30-22(18)25)24(34)17-7-10-27-21(13-17)31-11-8-26(9-12-31)20-6-4-3-5-19(20)23(33)29-26/h3-7,10,13-14H,8-9,11-12,15-16H2,1-2H3,(H,28,30)(H,29,33)
InChIKeyBPYZSNQAIWHSPX-UHFFFAOYSA-N
XLogP2.98
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one (CID 69188184) is 1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one is CC1(C)CN(C(=O)c2ccnc(N3CCC4(CC3)NC(=O)c3ccccc34)c2)Cc2cn[nH]c21.
What is the InChIKey of 1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one?
The InChIKey is BPYZSNQAIWHSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-25(2)16-32(15-18-14-28-30-22(18)25)24(34)17-7-10-27-21(13-17)31-11-8-26(9-12-31)20-6-4-3-5-19(20)23(33)29-26/h3-7,10,13-14H,8-9,11-12,15-16H2,1-2H3,(H,28,30)(H,29,33).
What are the key properties of 1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one?
1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one has a molecular weight of 456.55 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]spiro[2H-isoindole-3,4'-piperidine]-1-one is sourced from PubChem (CID 69188184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).