1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea

C18H19N7O — CID 99581775

IUPAC1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCc1ccnc(-c2ccc(NC(=O)N[C@H]3CCc4ncnn4C3)cc2)n1
InChIInChI=1S/C18H19N7O/c1-12-8-9-19-17(22-12)13-2-4-14(5-3-13)23-18(26)24-15-6-7-16-20-11-21-25(16)10-15/h2-5,8-9,11,15H,6-7,10H2,1H3,(H2,23,24,26)/t15-/m0/s1
InChIKeyVXPIJCGXGPIZBX-HNNXBMFYSA-N
MW349.40 g/mol
LogP2.18
Rot. Bonds3

About 1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea

1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (PubChem CID 99581775) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
PubChem CID99581775
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCc1ccnc(-c2ccc(NC(=O)N[C@H]3CCc4ncnn4C3)cc2)n1
InChIInChI=1S/C18H19N7O/c1-12-8-9-19-17(22-12)13-2-4-14(5-3-13)23-18(26)24-15-6-7-16-20-11-21-25(16)10-15/h2-5,8-9,11,15H,6-7,10H2,1H3,(H2,23,24,26)/t15-/m0/s1
InChIKeyVXPIJCGXGPIZBX-HNNXBMFYSA-N
XLogP2.18
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methyl-2-pyridinyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804769
1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99632776
1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804730
1-(3-phenyl-1,2-thiazol-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126831651
1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 129482090
1-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(2,4,5-trifluorophenyl)urea
CID 99631930
1-(2-propan-2-ylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86800724
1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126788231
1-(2-fluoro-6-methoxyphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 119034653
1-[2-methyl-3-(propan-2-yloxymethyl)phenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99632749
1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99633384
1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 119049787

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The IUPAC name of 1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (CID 99581775) is 1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The canonical SMILES for 1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is Cc1ccnc(-c2ccc(NC(=O)N[C@H]3CCc4ncnn4C3)cc2)n1.
What is the InChIKey of 1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The InChIKey is VXPIJCGXGPIZBX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-12-8-9-19-17(22-12)13-2-4-14(5-3-13)23-18(26)24-15-6-7-16-20-11-21-25(16)10-15/h2-5,8-9,11,15H,6-7,10H2,1H3,(H2,23,24,26)/t15-/m0/s1.
What are the key properties of 1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea has a molecular weight of 349.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpyrimidin-2-yl)phenyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is sourced from PubChem (CID 99581775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).