N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide

C19H18N6O2 — CID 164611155

IUPACN-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide
SMILESC[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C19H18N6O2/c1-12(10-26)25-11-20-24-18(25)15-7-4-8-17(22-15)23-19(27)16-9-13-5-2-3-6-14(13)21-16/h2-9,11-12,21,26H,10H2,1H3,(H,22,23,27)/t12-/m1/s1
InChIKeyQGYMQBQRBCBLRP-GFCCVEGCSA-N
MW362.39 g/mol
LogP2.63
Rot. Bonds5

About N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide

N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 164611155) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide
PubChem CID164611155
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide
SMILESC[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C19H18N6O2/c1-12(10-26)25-11-20-24-18(25)15-7-4-8-17(22-15)23-19(27)16-9-13-5-2-3-6-14(13)21-16/h2-9,11-12,21,26H,10H2,1H3,(H,22,23,27)/t12-/m1/s1
InChIKeyQGYMQBQRBCBLRP-GFCCVEGCSA-N
XLogP2.63
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo(2,3-b)pyridin-2-yl)-1H-indole-5-carboxamide
CID 9968957
N-[6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1H-indole-2-carboxamide
CID 13822922
N-[6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1H-indole-2-carboxamide
CID 13822923
5-[[4-[4-[(3-hydroxyazetidin-1-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162662603
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155670992
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide
CID 155670995
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-thiophen-3-yl-1H-indole-2-carboxamide
CID 155671001
6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671003
7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671004
4-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671005
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 155671006
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 155671013

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide (CID 164611155) is N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide is C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]2)n1.
What is the InChIKey of N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is QGYMQBQRBCBLRP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12(10-26)25-11-20-24-18(25)15-7-4-8-17(22-15)23-19(27)16-9-13-5-2-3-6-14(13)21-16/h2-9,11-12,21,26H,10H2,1H3,(H,22,23,27)/t12-/m1/s1.
What are the key properties of N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide?
N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 164611155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).