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

C25H21Cl2N5O3 — CID 25115037

IUPACN-benzyl-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)NCc4ccccc4)CC3)nc12
InChIInChI=1S/C25H21Cl2N5O3/c1-35-21-8-7-19(20(33)11-16-17(26)13-28-14-18(16)27)32-22(21)30-23(31-32)25(9-10-25)24(34)29-12-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,29,34)
InChIKeyIWAKHHHIIHQNAK-UHFFFAOYSA-N
MW510.38 g/mol
LogP4.21
Rot. Bonds8

About N-benzyl-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-benzyl-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 25115037) has the molecular formula C25H21Cl2N5O3 and a molecular weight of 510.38 g/mol. Its IUPAC name is N-benzyl-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-benzyl-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 CID25115037
Molecular FormulaC25H21Cl2N5O3
Molecular Weight510.38 g/mol
Exact Mass509.10
IUPAC NameN-benzyl-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)NCc4ccccc4)CC3)nc12
InChIInChI=1S/C25H21Cl2N5O3/c1-35-21-8-7-19(20(33)11-16-17(26)13-28-14-18(16)27)32-22(21)30-23(31-32)25(9-10-25)24(34)29-12-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,29,34)
InChIKeyIWAKHHHIIHQNAK-UHFFFAOYSA-N
XLogP4.21
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-benzyl-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-benzyl-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-benzyl-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 25115037) is N-benzyl-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-benzyl-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-benzyl-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)NCc4ccccc4)CC3)nc12.
What is the InChIKey of N-benzyl-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 IWAKHHHIIHQNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N5O3/c1-35-21-8-7-19(20(33)11-16-17(26)13-28-14-18(16)27)32-22(21)30-23(31-32)25(9-10-25)24(34)29-12-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,29,34).
What are the key properties of N-benzyl-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-benzyl-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 510.38 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-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 25115037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).