N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C21H24N6O2 — CID 170948274

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCN1CCN(c2nc3ccc(C(=O)N[C@H]4CCOc5ccccc54)cn3n2)CC1
InChIInChI=1S/C21H24N6O2/c1-25-9-11-26(12-10-25)21-23-19-7-6-15(14-27(19)24-21)20(28)22-17-8-13-29-18-5-3-2-4-16(17)18/h2-7,14,17H,8-13H2,1H3,(H,22,28)/t17-/m0/s1
InChIKeyIHDYCLWEDHOWLV-KRWDZBQOSA-N
MW392.46 g/mol
LogP1.73
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 170948274) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID170948274
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCN1CCN(c2nc3ccc(C(=O)N[C@H]4CCOc5ccccc54)cn3n2)CC1
InChIInChI=1S/C21H24N6O2/c1-25-9-11-26(12-10-25)21-23-19-7-6-15(14-27(19)24-21)20(28)22-17-8-13-29-18-5-3-2-4-16(17)18/h2-7,14,17H,8-13H2,1H3,(H,22,28)/t17-/m0/s1
InChIKeyIHDYCLWEDHOWLV-KRWDZBQOSA-N
XLogP1.73
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 170948323
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 170948139
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 174201478
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 170948210
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
2-(4-tert-butylpiperazin-1-yl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164874834
N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide
CID 47035719
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31339166
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 170948223
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 170948274) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CN1CCN(c2nc3ccc(C(=O)N[C@H]4CCOc5ccccc54)cn3n2)CC1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is IHDYCLWEDHOWLV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-25-9-11-26(12-10-25)21-23-19-7-6-15(14-27(19)24-21)20(28)22-17-8-13-29-18-5-3-2-4-16(17)18/h2-7,14,17H,8-13H2,1H3,(H,22,28)/t17-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 170948274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).