N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C22H18FN5O3S — CID 59278474

IUPACN-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccnc(S(=O)(=O)C2CC2)c1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H18FN5O3S/c23-15-1-3-16(4-2-15)28-20-13-24-11-19(18(20)12-27-28)22(29)26-10-14-7-8-25-21(9-14)32(30,31)17-5-6-17/h1-4,7-9,11-13,17H,5-6,10H2,(H,26,29)
InChIKeyBROKKQVCHSVGSW-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.82
Rot. Bonds6

About N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278474) has the molecular formula C22H18FN5O3S and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278474
Molecular FormulaC22H18FN5O3S
Molecular Weight451.48 g/mol
Exact Mass451.11
IUPAC NameN-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccnc(S(=O)(=O)C2CC2)c1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H18FN5O3S/c23-15-1-3-16(4-2-15)28-20-13-24-11-19(18(20)12-27-28)22(29)26-10-14-7-8-25-21(9-14)32(30,31)17-5-6-17/h1-4,7-9,11-13,17H,5-6,10H2,(H,26,29)
InChIKeyBROKKQVCHSVGSW-UHFFFAOYSA-N
XLogP2.82
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278474) is N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is O=C(NCc1ccnc(S(=O)(=O)C2CC2)c1)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is BROKKQVCHSVGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3S/c23-15-1-3-16(4-2-15)28-20-13-24-11-19(18(20)12-27-28)22(29)26-10-14-7-8-25-21(9-14)32(30,31)17-5-6-17/h1-4,7-9,11-13,17H,5-6,10H2,(H,26,29).
What are the key properties of N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).