N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide

C23H23Cl2N5O3 — CID 25115265

IUPACN-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NC4CCCC4)CC3)nc12
InChIInChI=1S/C23H23Cl2N5O3/c1-33-19-7-6-17(18(31)10-14-15(24)11-26-12-16(14)25)30-20(19)28-21(29-30)23(8-9-23)22(32)27-13-4-2-3-5-13/h6-7,11-13H,2-5,8-10H2,1H3,(H,27,32)
InChIKeyYMJNTNQEXZNODN-UHFFFAOYSA-N
MW488.38 g/mol
LogP3.96
Rot. Bonds7

About N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide

N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 25115265) has the molecular formula C23H23Cl2N5O3 and a molecular weight of 488.38 g/mol. Its IUPAC name is N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID25115265
Molecular FormulaC23H23Cl2N5O3
Molecular Weight488.38 g/mol
Exact Mass487.12
IUPAC NameN-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NC4CCCC4)CC3)nc12
InChIInChI=1S/C23H23Cl2N5O3/c1-33-19-7-6-17(18(31)10-14-15(24)11-26-12-16(14)25)30-20(19)28-21(29-30)23(8-9-23)22(32)27-13-4-2-3-5-13/h6-7,11-13H,2-5,8-10H2,1H3,(H,27,32)
InChIKeyYMJNTNQEXZNODN-UHFFFAOYSA-N
XLogP3.96
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 25115265) is N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NC4CCCC4)CC3)nc12.
What is the InChIKey of N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is YMJNTNQEXZNODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O3/c1-33-19-7-6-17(18(31)10-14-15(24)11-26-12-16(14)25)30-20(19)28-21(29-30)23(8-9-23)22(32)27-13-4-2-3-5-13/h6-7,11-13H,2-5,8-10H2,1H3,(H,27,32).
What are the key properties of N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 488.38 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 25115265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).