N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide

C18H16F2N4O — CID 67367298

IUPACN-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12)N1CCCC1
InChIInChI=1S/C18H16F2N4O/c19-14-12(11-6-2-1-3-7-11)10-13-16(15(14)20)22-23-17(13)21-18(25)24-8-4-5-9-24/h1-3,6-7,10H,4-5,8-9H2,(H2,21,22,23,25)
InChIKeyMVVQBLQFJPBWQK-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.14
Rot. Bonds2

About N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide

N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 67367298) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID67367298
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC NameN-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12)N1CCCC1
InChIInChI=1S/C18H16F2N4O/c19-14-12(11-6-2-1-3-7-11)10-13-16(15(14)20)22-23-17(13)21-18(25)24-8-4-5-9-24/h1-3,6-7,10H,4-5,8-9H2,(H2,21,22,23,25)
InChIKeyMVVQBLQFJPBWQK-UHFFFAOYSA-N
XLogP4.14
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide (CID 67367298) is N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide is O=C(Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12)N1CCCC1.
What is the InChIKey of N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is MVVQBLQFJPBWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-14-12(11-6-2-1-3-7-11)10-13-16(15(14)20)22-23-17(13)21-18(25)24-8-4-5-9-24/h1-3,6-7,10H,4-5,8-9H2,(H2,21,22,23,25).
What are the key properties of N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide?
N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 67367298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).