N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C22H17FN6O — CID 45136965

IUPACN-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C#N)c1
InChIInChI=1S/C22H17FN6O/c1-2-20(14-7-8-26-16(9-14)10-24)28-22(30)19-11-25-13-21-18(19)12-27-29(21)17-5-3-15(23)4-6-17/h3-9,11-13,20H,2H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyQIBGESHUVUCDAY-FQEVSTJZSA-N
MW400.42 g/mol
LogP3.71
Rot. Bonds5

About N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45136965) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45136965
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC NameN-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C#N)c1
InChIInChI=1S/C22H17FN6O/c1-2-20(14-7-8-26-16(9-14)10-24)28-22(30)19-11-25-13-21-18(19)12-27-29(21)17-5-3-15(23)4-6-17/h3-9,11-13,20H,2H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyQIBGESHUVUCDAY-FQEVSTJZSA-N
XLogP3.71
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45136965) is N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C#N)c1.
What is the InChIKey of N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is QIBGESHUVUCDAY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17FN6O/c1-2-20(14-7-8-26-16(9-14)10-24)28-22(30)19-11-25-13-21-18(19)12-27-29(21)17-5-3-15(23)4-6-17/h3-9,11-13,20H,2H2,1H3,(H,28,30)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 400.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45136965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).