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

C23H25Cl2N5O3 — CID 25015773

IUPAC1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCC(C)(C)C)CC3)nc12
InChIInChI=1S/C23H25Cl2N5O3/c1-22(2,3)12-27-21(32)23(7-8-23)20-28-19-18(33-4)6-5-16(30(19)29-20)17(31)9-13-14(24)10-26-11-15(13)25/h5-6,10-11H,7-9,12H2,1-4H3,(H,27,32)
InChIKeyPIEWYNAWBZBZHR-UHFFFAOYSA-N
MW490.39 g/mol
LogP4.06
Rot. Bonds7

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

1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide (PubChem CID 25015773) has the molecular formula C23H25Cl2N5O3 and a molecular weight of 490.39 g/mol. Its IUPAC name is 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
PubChem CID25015773
Molecular FormulaC23H25Cl2N5O3
Molecular Weight490.39 g/mol
Exact Mass489.13
IUPAC Name1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCC(C)(C)C)CC3)nc12
InChIInChI=1S/C23H25Cl2N5O3/c1-22(2,3)12-27-21(32)23(7-8-23)20-28-19-18(33-4)6-5-16(30(19)29-20)17(31)9-13-14(24)10-26-11-15(13)25/h5-6,10-11H,7-9,12H2,1-4H3,(H,27,32)
InChIKeyPIEWYNAWBZBZHR-UHFFFAOYSA-N
XLogP4.06
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide (CID 25015773) is 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCC(C)(C)C)CC3)nc12.
What is the InChIKey of 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide?
The InChIKey is PIEWYNAWBZBZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O3/c1-22(2,3)12-27-21(32)23(7-8-23)20-28-19-18(33-4)6-5-16(30(19)29-20)17(31)9-13-14(24)10-26-11-15(13)25/h5-6,10-11H,7-9,12H2,1-4H3,(H,27,32).
What are the key properties of 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide?
1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide has a molecular weight of 490.39 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 25015773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).