N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C22H25FN6O2 — CID 45137540

IUPACN-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(C(N)=O)CC1
InChIInChI=1S/C22H25FN6O2/c1-2-19(14-7-9-28(10-8-14)22(24)31)27-21(30)18-11-25-13-20-17(18)12-26-29(20)16-5-3-15(23)4-6-16/h3-6,11-14,19H,2,7-10H2,1H3,(H2,24,31)(H,27,30)
InChIKeyNCGHWVHYLMTOSR-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.86
Rot. Bonds5

About N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45137540) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45137540
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC NameN-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(C(N)=O)CC1
InChIInChI=1S/C22H25FN6O2/c1-2-19(14-7-9-28(10-8-14)22(24)31)27-21(30)18-11-25-13-20-17(18)12-26-29(20)16-5-3-15(23)4-6-16/h3-6,11-14,19H,2,7-10H2,1H3,(H2,24,31)(H,27,30)
InChIKeyNCGHWVHYLMTOSR-UHFFFAOYSA-N
XLogP2.86
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45137540) is N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(C(N)=O)CC1.
What is the InChIKey of N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is NCGHWVHYLMTOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-2-19(14-7-9-28(10-8-14)22(24)31)27-21(30)18-11-25-13-20-17(18)12-26-29(20)16-5-3-15(23)4-6-16/h3-6,11-14,19H,2,7-10H2,1H3,(H2,24,31)(H,27,30).
What are the key properties of N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-carbamoylpiperidin-4-yl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45137540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).