1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C21H18FN5O — CID 59278390

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C21H18FN5O/c1-2-19(14-7-9-23-10-8-14)26-21(28)18-11-24-13-20-17(18)12-25-27(20)16-5-3-15(22)4-6-16/h3-13,19H,2H2,1H3,(H,26,28)/t19-/m0/s1
InChIKeyMBTRNBPEXRKRNR-IBGZPJMESA-N
MW375.41 g/mol
LogP3.84
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278390) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278390
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C21H18FN5O/c1-2-19(14-7-9-23-10-8-14)26-21(28)18-11-24-13-20-17(18)12-25-27(20)16-5-3-15(22)4-6-16/h3-13,19H,2H2,1H3,(H,26,28)/t19-/m0/s1
InChIKeyMBTRNBPEXRKRNR-IBGZPJMESA-N
XLogP3.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278390) is 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccncc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is MBTRNBPEXRKRNR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18FN5O/c1-2-19(14-7-9-23-10-8-14)26-21(28)18-11-24-13-20-17(18)12-25-27(20)16-5-3-15(22)4-6-16/h3-13,19H,2H2,1H3,(H,26,28)/t19-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).