N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide

C21H18ClN7O — CID 71657479

IUPACN-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cnc(NC(=O)C2CC2)cc1-c1cc(-c2ncn[nH]2)n(-c2ncccc2Cl)c1
InChIInChI=1S/C21H18ClN7O/c1-12-9-24-18(27-21(30)13-4-5-13)8-15(12)14-7-17(19-25-11-26-28-19)29(10-14)20-16(22)3-2-6-23-20/h2-3,6-11,13H,4-5H2,1H3,(H,24,27,30)(H,25,26,28)
InChIKeyWIWCFGYYAWJGEN-UHFFFAOYSA-N
MW419.88 g/mol
LogP4.03
Rot. Bonds5

About N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide

N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 71657479) has the molecular formula C21H18ClN7O and a molecular weight of 419.88 g/mol. Its IUPAC name is N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide
PubChem CID71657479
Molecular FormulaC21H18ClN7O
Molecular Weight419.88 g/mol
Exact Mass419.13
IUPAC NameN-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cnc(NC(=O)C2CC2)cc1-c1cc(-c2ncn[nH]2)n(-c2ncccc2Cl)c1
InChIInChI=1S/C21H18ClN7O/c1-12-9-24-18(27-21(30)13-4-5-13)8-15(12)14-7-17(19-25-11-26-28-19)29(10-14)20-16(22)3-2-6-23-20/h2-3,6-11,13H,4-5H2,1H3,(H,24,27,30)(H,25,26,28)
InChIKeyWIWCFGYYAWJGEN-UHFFFAOYSA-N
XLogP4.03
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(2-methyltriazol-4-yl)piperidine-4-carboxamide
CID 89736215
5-chloro-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine
CID 90412740
US20230339978, Example 11
CID 162734526
US20230339978, Example 28
CID 162734531
US20230339978, Example 26
CID 162734533
US20230339978, Example 27
CID 162734537
US20230339978, Example 29
CID 169305662
US20230339978, Example 4
CID 169305665
US20230339978, Example 2
CID 169305669
US20230339978, Example 25
CID 169305671
US20230339978, Example 18
CID 169305675
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxamide
CID 139487412

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide (CID 71657479) is N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide is Cc1cnc(NC(=O)C2CC2)cc1-c1cc(-c2ncn[nH]2)n(-c2ncccc2Cl)c1.
What is the InChIKey of N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is WIWCFGYYAWJGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O/c1-12-9-24-18(27-21(30)13-4-5-13)8-15(12)14-7-17(19-25-11-26-28-19)29(10-14)20-16(22)3-2-6-23-20/h2-3,6-11,13H,4-5H2,1H3,(H,24,27,30)(H,25,26,28).
What are the key properties of N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 419.88 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-chloro-2-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 71657479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).