N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C22H16BrFN4O — CID 52917285

IUPACN-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NC1(c2ccc(Br)cc2)CC1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H16BrFN4O/c23-15-3-1-14(2-4-15)22(9-10-22)27-21(29)19-11-25-13-20-18(19)12-26-28(20)17-7-5-16(24)6-8-17/h1-8,11-13H,9-10H2,(H,27,29)
InChIKeyYTVTXXHUSNMCAX-UHFFFAOYSA-N
MW451.30 g/mol
LogP4.74
Rot. Bonds4

About N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 52917285) has the molecular formula C22H16BrFN4O and a molecular weight of 451.30 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID52917285
Molecular FormulaC22H16BrFN4O
Molecular Weight451.30 g/mol
Exact Mass450.05
IUPAC NameN-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NC1(c2ccc(Br)cc2)CC1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H16BrFN4O/c23-15-3-1-14(2-4-15)22(9-10-22)27-21(29)19-11-25-13-20-18(19)12-26-28(20)17-7-5-16(24)6-8-17/h1-8,11-13H,9-10H2,(H,27,29)
InChIKeyYTVTXXHUSNMCAX-UHFFFAOYSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.30
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 52917285) is N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is O=C(NC1(c2ccc(Br)cc2)CC1)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is YTVTXXHUSNMCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrFN4O/c23-15-3-1-14(2-4-15)22(9-10-22)27-21(29)19-11-25-13-20-18(19)12-26-28(20)17-7-5-16(24)6-8-17/h1-8,11-13H,9-10H2,(H,27,29).
What are the key properties of N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 451.30 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 52917285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).