N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine

C20H16ClN7S — CID 91554596

IUPACN-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine
SMILESCc1nn2ccccc2c1-c1nc(NCc2ccc(Cl)cc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C20H16ClN7S/c1-12-16(15-4-2-3-9-28(15)27-12)20-25-18(17(29-20)19-23-11-24-26-19)22-10-13-5-7-14(21)8-6-13/h2-9,11,22H,10H2,1H3,(H,23,24,26)
InChIKeyZVCNXSPRFHCBAJ-UHFFFAOYSA-N
MW421.92 g/mol
LogP4.82
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine

N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine (PubChem CID 91554596) has the molecular formula C20H16ClN7S and a molecular weight of 421.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine
PubChem CID91554596
Molecular FormulaC20H16ClN7S
Molecular Weight421.92 g/mol
Exact Mass421.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine
SMILESCc1nn2ccccc2c1-c1nc(NCc2ccc(Cl)cc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C20H16ClN7S/c1-12-16(15-4-2-3-9-28(15)27-12)20-25-18(17(29-20)19-23-11-24-26-19)22-10-13-5-7-14(21)8-6-13/h2-9,11,22H,10H2,1H3,(H,23,24,26)
InChIKeyZVCNXSPRFHCBAJ-UHFFFAOYSA-N
XLogP4.82
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.92
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
CID 58095101
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865190
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 58095010
4-(3-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865294
acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 66855389
4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine
CID 70865265
2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
CID 46865517
4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]morpholine
CID 58095208
2-bromo-4-[(4-chlorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 66749599
7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
CID 46865633
4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66856056
4-ethoxy-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66854651

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine (CID 91554596) is N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine is Cc1nn2ccccc2c1-c1nc(NCc2ccc(Cl)cc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine?
The InChIKey is ZVCNXSPRFHCBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7S/c1-12-16(15-4-2-3-9-28(15)27-12)20-25-18(17(29-20)19-23-11-24-26-19)22-10-13-5-7-14(21)8-6-13/h2-9,11,22H,10H2,1H3,(H,23,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine?
N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine has a molecular weight of 421.92 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 91554596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).