N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide

C25H22N6O2 — CID 157372779

IUPACN-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(NC(=O)c3ccccc3-n3cncn3)c1)=NC2
InChIInChI=1S/C25H22N6O2/c1-16(2)33-19-8-7-18-13-28-24(21(18)12-19)17-9-10-27-23(11-17)30-25(32)20-5-3-4-6-22(20)31-15-26-14-29-31/h3-12,14-16H,13H2,1-2H3,(H,27,30,32)
InChIKeyBJYPYWNRURRXOM-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.05
Rot. Bonds6

About N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide

N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 157372779) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID157372779
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(NC(=O)c3ccccc3-n3cncn3)c1)=NC2
InChIInChI=1S/C25H22N6O2/c1-16(2)33-19-8-7-18-13-28-24(21(18)12-19)17-9-10-27-23(11-17)30-25(32)20-5-3-4-6-22(20)31-15-26-14-29-31/h3-12,14-16H,13H2,1-2H3,(H,27,30,32)
InChIKeyBJYPYWNRURRXOM-UHFFFAOYSA-N
XLogP4.05
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide with MolForge

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Related Compounds

[(2-amino-5-propan-2-yloxyphenyl)-[2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]-4-pyridinyl]methylidene]azanium
CID 144697825
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide
CID 158833367
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide
CID 158939204
1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one
CID 160954151
7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669398
(2S)-2-cyclopropyl-2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 122558428
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134707784
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 56759826
3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157482112
2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CID 50853299
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95525394
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134703354

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide (CID 157372779) is N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide is CC(C)Oc1ccc2c(c1)C(c1ccnc(NC(=O)c3ccccc3-n3cncn3)c1)=NC2.
What is the InChIKey of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is BJYPYWNRURRXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-16(2)33-19-8-7-18-13-28-24(21(18)12-19)17-9-10-27-23(11-17)30-25(32)20-5-3-4-6-22(20)31-15-26-14-29-31/h3-12,14-16H,13H2,1-2H3,(H,27,30,32).
What are the key properties of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide?
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 438.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 157372779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).