N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C25H21FN6O3 — CID 52917351

IUPACN-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESNC(=O)CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H21FN6O3/c26-17-4-6-18(7-5-17)32-21-13-28-11-20(19(21)12-30-32)24(35)31-25(8-9-25)16-3-1-2-15(10-16)23(34)29-14-22(27)33/h1-7,10-13H,8-9,14H2,(H2,27,33)(H,29,34)(H,31,35)
InChIKeyKXYZONSNORNQMU-UHFFFAOYSA-N
MW472.48 g/mol
LogP2.19
Rot. Bonds7

About N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 52917351) has the molecular formula C25H21FN6O3 and a molecular weight of 472.48 g/mol. Its IUPAC name is N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID52917351
Molecular FormulaC25H21FN6O3
Molecular Weight472.48 g/mol
Exact Mass472.17
IUPAC NameN-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESNC(=O)CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H21FN6O3/c26-17-4-6-18(7-5-17)32-21-13-28-11-20(19(21)12-30-32)24(35)31-25(8-9-25)16-3-1-2-15(10-16)23(34)29-14-22(27)33/h1-7,10-13H,8-9,14H2,(H2,27,33)(H,29,34)(H,31,35)
InChIKeyKXYZONSNORNQMU-UHFFFAOYSA-N
XLogP2.19
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 52917351) is N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is NC(=O)CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is KXYZONSNORNQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O3/c26-17-4-6-18(7-5-17)32-21-13-28-11-20(19(21)12-30-32)24(35)31-25(8-9-25)16-3-1-2-15(10-16)23(34)29-14-22(27)33/h1-7,10-13H,8-9,14H2,(H2,27,33)(H,29,34)(H,31,35).
What are the key properties of N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 472.48 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 52917351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).