N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide

C19H13ClF2N4O — CID 58432279

IUPACN-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1Cl)N=C(c1[nH]ncc1NC(=O)c1c(F)cccc1F)C2
InChIInChI=1S/C19H13ClF2N4O/c1-9-5-10-6-15(24-14(10)7-11(9)20)18-16(8-23-26-18)25-19(27)17-12(21)3-2-4-13(17)22/h2-5,7-8H,6H2,1H3,(H,23,26)(H,25,27)
InChIKeyVREZRQXJRFHEBR-UHFFFAOYSA-N
MW386.79 g/mol
LogP4.58
Rot. Bonds3

About N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide

N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 58432279) has the molecular formula C19H13ClF2N4O and a molecular weight of 386.79 g/mol. Its IUPAC name is N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
PubChem CID58432279
Molecular FormulaC19H13ClF2N4O
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC NameN-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1Cl)N=C(c1[nH]ncc1NC(=O)c1c(F)cccc1F)C2
InChIInChI=1S/C19H13ClF2N4O/c1-9-5-10-6-15(24-14(10)7-11(9)20)18-16(8-23-26-18)25-19(27)17-12(21)3-2-4-13(17)22/h2-5,7-8H,6H2,1H3,(H,23,26)(H,25,27)
InChIKeyVREZRQXJRFHEBR-UHFFFAOYSA-N
XLogP4.58
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide (CID 58432279) is N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide is Cc1cc2c(cc1Cl)N=C(c1[nH]ncc1NC(=O)c1c(F)cccc1F)C2.
What is the InChIKey of N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The InChIKey is VREZRQXJRFHEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4O/c1-9-5-10-6-15(24-14(10)7-11(9)20)18-16(8-23-26-18)25-19(27)17-12(21)3-2-4-13(17)22/h2-5,7-8H,6H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide has a molecular weight of 386.79 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-5-methyl-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 58432279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).