4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile

C19H11ClFN5 — CID 86732430

IUPAC4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Cl
InChIInChI=1S/C19H11ClFN5/c20-18-13(9-22)10-23-19(24-18)17-14-6-2-4-8-16(14)26(25-17)11-12-5-1-3-7-15(12)21/h1-8,10H,11H2
InChIKeyHSJHMNBAWMUEEV-UHFFFAOYSA-N
MW363.78 g/mol
LogP4.21
Rot. Bonds3

About 4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile

4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile (PubChem CID 86732430) has the molecular formula C19H11ClFN5 and a molecular weight of 363.78 g/mol. Its IUPAC name is 4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile
PubChem CID86732430
Molecular FormulaC19H11ClFN5
Molecular Weight363.78 g/mol
Exact Mass363.07
IUPAC Name4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Cl
InChIInChI=1S/C19H11ClFN5/c20-18-13(9-22)10-23-19(24-18)17-14-6-2-4-8-16(14)26(25-17)11-12-5-1-3-7-15(12)21/h1-8,10H,11H2
InChIKeyHSJHMNBAWMUEEV-UHFFFAOYSA-N
XLogP4.21
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile (CID 86732430) is 4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile is N#Cc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Cl.
What is the InChIKey of 4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile?
The InChIKey is HSJHMNBAWMUEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN5/c20-18-13(9-22)10-23-19(24-18)17-14-6-2-4-8-16(14)26(25-17)11-12-5-1-3-7-15(12)21/h1-8,10H,11H2.
What are the key properties of 4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile?
4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile has a molecular weight of 363.78 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 86732430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).