2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one

C25H21N7O — CID 153305365

IUPAC2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one
SMILESCC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5ccnn5c4)cc3C2=O)n1
InChIInChI=1S/C25H21N7O/c1-16(2)31-15-26-29-24(31)22-4-3-5-23(28-22)30-13-19-7-6-17(12-21(19)25(30)33)18-8-9-20-10-11-27-32(20)14-18/h3-12,14-16H,13H2,1-2H3
InChIKeyBMRQSWOAYVHVLM-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.40
Rot. Bonds4

About 2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one

2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one (PubChem CID 153305365) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one
PubChem CID153305365
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Name2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one
SMILESCC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5ccnn5c4)cc3C2=O)n1
InChIInChI=1S/C25H21N7O/c1-16(2)31-15-26-29-24(31)22-4-3-5-23(28-22)30-13-19-7-6-17(12-21(19)25(30)33)18-8-9-20-10-11-27-32(20)14-18/h3-12,14-16H,13H2,1-2H3
InChIKeyBMRQSWOAYVHVLM-UHFFFAOYSA-N
XLogP4.40
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate
CID 146559663
6-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 146559587
2-fluoro-5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 146559614
2-(hydroxymethyl)-5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 146559644
[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]boronic acid
CID 148580494
3-cyano-6-methyl-2-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyridine-4-carboxylic acid
CID 146559626
3-isocyano-5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 149204421
4-fluoro-3-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 146559582
carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one
CID 162071353
5-amino-1-[4-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]pyrazole-4-carboxylic acid
CID 146559556
methyl 2-methyl-3-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate
CID 155490006
6-(3-hydroxy-3-methylbut-1-ynyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 135307299

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one?
The IUPAC name of 2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one (CID 153305365) is 2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one?
The canonical SMILES for 2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one is CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4ccc5ccnn5c4)cc3C2=O)n1.
What is the InChIKey of 2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one?
The InChIKey is BMRQSWOAYVHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-16(2)31-15-26-29-24(31)22-4-3-5-23(28-22)30-13-19-7-6-17(12-21(19)25(30)33)18-8-9-20-10-11-27-32(20)14-18/h3-12,14-16H,13H2,1-2H3.
What are the key properties of 2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one?
2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one has a molecular weight of 435.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one is sourced from PubChem (CID 153305365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).