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

C19H24ClN5O — CID 170579337

IUPAC1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESO=C(N[C@@H]1CCc2ncnn2C1)N[C@H](c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C19H24ClN5O/c20-15-7-3-6-14(10-15)18(13-4-1-2-5-13)24-19(26)23-16-8-9-17-21-12-22-25(17)11-16/h3,6-7,10,12-13,16,18H,1-2,4-5,8-9,11H2,(H2,23,24,26)/t16-,18+/m1/s1
InChIKeyQJHLPUHPTSPRGM-AEFFLSMTSA-N
MW373.89 g/mol
LogP3.48
Rot. Bonds4

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

1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (PubChem CID 170579337) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
PubChem CID170579337
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESO=C(N[C@@H]1CCc2ncnn2C1)N[C@H](c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C19H24ClN5O/c20-15-7-3-6-14(10-15)18(13-4-1-2-5-13)24-19(26)23-16-8-9-17-21-12-22-25(17)11-16/h3,6-7,10,12-13,16,18H,1-2,4-5,8-9,11H2,(H2,23,24,26)/t16-,18+/m1/s1
InChIKeyQJHLPUHPTSPRGM-AEFFLSMTSA-N
XLogP3.48
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(2,2-difluoro-1-phenylethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 127265980
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551
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-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(2,4,5-trifluorophenyl)urea
CID 99631930
3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
CID 170578738
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-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 170580700
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 124610117
1-(2-fluoro-6-methoxyphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 119034653
2-(azepan-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide
CID 127374124

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The IUPAC name of 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (CID 170579337) is 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The canonical SMILES for 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is O=C(N[C@@H]1CCc2ncnn2C1)N[C@H](c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The InChIKey is QJHLPUHPTSPRGM-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H24ClN5O/c20-15-7-3-6-14(10-15)18(13-4-1-2-5-13)24-19(26)23-16-8-9-17-21-12-22-25(17)11-16/h3,6-7,10,12-13,16,18H,1-2,4-5,8-9,11H2,(H2,23,24,26)/t16-,18+/m1/s1.
What are the key properties of 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea has a molecular weight of 373.89 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is sourced from PubChem (CID 170579337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).