5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide

C22H19ClN4O2 — CID 138478890

IUPAC5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(-n2cc(C3(NC(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)cn2)cc1
InChIInChI=1S/C22H19ClN4O2/c1-29-18-5-3-17(4-6-18)27-13-15(12-24-27)22(8-9-22)26-21(28)20-11-14-10-16(23)2-7-19(14)25-20/h2-7,10-13,25H,8-9H2,1H3,(H,26,28)
InChIKeyCAGFKZRRLBJPDM-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.43
Rot. Bonds5

About 5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide

5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 138478890) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide
PubChem CID138478890
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(-n2cc(C3(NC(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)cn2)cc1
InChIInChI=1S/C22H19ClN4O2/c1-29-18-5-3-17(4-6-18)27-13-15(12-24-27)22(8-9-22)26-21(28)20-11-14-10-16(23)2-7-19(14)25-20/h2-7,10-13,25H,8-9H2,1H3,(H,26,28)
InChIKeyCAGFKZRRLBJPDM-UHFFFAOYSA-N
XLogP4.43
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide (CID 138478890) is 5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide is COc1ccc(-n2cc(C3(NC(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)cn2)cc1.
What is the InChIKey of 5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is CAGFKZRRLBJPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-29-18-5-3-17(4-6-18)27-13-15(12-24-27)22(8-9-22)26-21(28)20-11-14-10-16(23)2-7-19(14)25-20/h2-7,10-13,25H,8-9H2,1H3,(H,26,28).
What are the key properties of 5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 138478890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).