1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea

C19H25ClN6O2 — CID 134801279

IUPAC1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C19H25ClN6O2/c20-14-4-6-15(7-5-14)21-18(27)22-16-8-10-24(13-16)11-12-26-19(28)25-9-2-1-3-17(25)23-26/h4-7,16H,1-3,8-13H2,(H2,21,22,27)
InChIKeyBBTJEUNYDPEPTK-UHFFFAOYSA-N
MW404.90 g/mol
LogP1.93
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea

1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea (PubChem CID 134801279) has the molecular formula C19H25ClN6O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea
PubChem CID134801279
Molecular FormulaC19H25ClN6O2
Molecular Weight404.90 g/mol
Exact Mass404.17
IUPAC Name1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1
InChIInChI=1S/C19H25ClN6O2/c20-14-4-6-15(7-5-14)21-18(27)22-16-8-10-24(13-16)11-12-26-19(28)25-9-2-1-3-17(25)23-26/h4-7,16H,1-3,8-13H2,(H2,21,22,27)
InChIKeyBBTJEUNYDPEPTK-UHFFFAOYSA-N
XLogP1.93
TPSA84.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 134801951
2-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 15105360
4-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide
CID 134802320
3-methoxy-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidin-3-yl]benzamide
CID 134801337
2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 134802162
N-cyclopropyl-4-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetyl]amino]benzamide
CID 36557514
1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
2-[3-[(2,4-dichlorophenyl)methylamino]propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 75419432
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 56566392
1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
CID 110747923

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea (CID 134801279) is 1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea is O=C(Nc1ccc(Cl)cc1)NC1CCN(CCn2nc3n(c2=O)CCCC3)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea?
The InChIKey is BBTJEUNYDPEPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O2/c20-14-4-6-15(7-5-14)21-18(27)22-16-8-10-24(13-16)11-12-26-19(28)25-9-2-1-3-17(25)23-26/h4-7,16H,1-3,8-13H2,(H2,21,22,27).
What are the key properties of 1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea?
1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea has a molecular weight of 404.90 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 134801279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).