N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C20H15BrFN5O — CID 45139044

IUPACN-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(Br)c1
InChIInChI=1S/C20H15BrFN5O/c1-12(13-6-14(21)8-23-7-13)26-20(28)18-9-24-11-19-17(18)10-25-27(19)16-4-2-15(22)3-5-16/h2-12H,1H3,(H,26,28)/t12-/m0/s1
InChIKeyRRMQDJAHJRERNX-LBPRGKRZSA-N
MW440.28 g/mol
LogP4.21
Rot. Bonds4

About N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45139044) has the molecular formula C20H15BrFN5O and a molecular weight of 440.28 g/mol. Its IUPAC name is N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45139044
Molecular FormulaC20H15BrFN5O
Molecular Weight440.28 g/mol
Exact Mass439.04
IUPAC NameN-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(Br)c1
InChIInChI=1S/C20H15BrFN5O/c1-12(13-6-14(21)8-23-7-13)26-20(28)18-9-24-11-19-17(18)10-25-27(19)16-4-2-15(22)3-5-16/h2-12H,1H3,(H,26,28)/t12-/m0/s1
InChIKeyRRMQDJAHJRERNX-LBPRGKRZSA-N
XLogP4.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45139044) is N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(Br)c1.
What is the InChIKey of N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is RRMQDJAHJRERNX-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H15BrFN5O/c1-12(13-6-14(21)8-23-7-13)26-20(28)18-9-24-11-19-17(18)10-25-27(19)16-4-2-15(22)3-5-16/h2-12H,1H3,(H,26,28)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 440.28 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45139044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).