1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide

C26H23N9O2S — CID 58094853

IUPAC1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide
SMILESCc1nn2ccc(OCCNC(=O)c3cn(C)cn3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H23N9O2S/c1-16-21(26-31-22(17-6-4-3-5-7-17)23(38-26)24-28-14-30-32-24)20-12-18(8-10-35(20)33-16)37-11-9-27-25(36)19-13-34(2)15-29-19/h3-8,10,12-15H,9,11H2,1-2H3,(H,27,36)(H,28,30,32)
InChIKeyGHMUJNWKEQBBFR-UHFFFAOYSA-N
MW525.60 g/mol
LogP3.76
Rot. Bonds8

About 1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide

1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide (PubChem CID 58094853) has the molecular formula C26H23N9O2S and a molecular weight of 525.60 g/mol. Its IUPAC name is 1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide
PubChem CID58094853
Molecular FormulaC26H23N9O2S
Molecular Weight525.60 g/mol
Exact Mass525.17
IUPAC Name1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide
SMILESCc1nn2ccc(OCCNC(=O)c3cn(C)cn3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H23N9O2S/c1-16-21(26-31-22(17-6-4-3-5-7-17)23(38-26)24-28-14-30-32-24)20-12-18(8-10-35(20)33-16)37-11-9-27-25(36)19-13-34(2)15-29-19/h3-8,10,12-15H,9,11H2,1-2H3,(H,27,36)(H,28,30,32)
InChIKeyGHMUJNWKEQBBFR-UHFFFAOYSA-N
XLogP3.76
TPSA127.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.60
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide (CID 58094853) is 1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide is Cc1nn2ccc(OCCNC(=O)c3cn(C)cn3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide?
The InChIKey is GHMUJNWKEQBBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N9O2S/c1-16-21(26-31-22(17-6-4-3-5-7-17)23(38-26)24-28-14-30-32-24)20-12-18(8-10-35(20)33-16)37-11-9-27-25(36)19-13-34(2)15-29-19/h3-8,10,12-15H,9,11H2,1-2H3,(H,27,36)(H,28,30,32).
What are the key properties of 1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide?
1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide has a molecular weight of 525.60 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[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]oxyethyl]imidazole-4-carboxamide is sourced from PubChem (CID 58094853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).