1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C23H25F2N5O3S — CID 57405426

IUPAC1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCCC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C23H25F2N5O3S/c1-3-5-18(15-9-10-26-22(12-15)34(2,32)33)28-23(31)29-11-4-6-20-21(29)14-27-30(20)19-8-7-16(24)13-17(19)25/h7-10,12-14,18H,3-6,11H2,1-2H3,(H,28,31)/t18-/m0/s1
InChIKeyVEKHOASCGRVBRD-SFHVURJKSA-N
MW489.55 g/mol
LogP3.95
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57405426) has the molecular formula C23H25F2N5O3S and a molecular weight of 489.55 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID57405426
Molecular FormulaC23H25F2N5O3S
Molecular Weight489.55 g/mol
Exact Mass489.16
IUPAC Name1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCCC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C23H25F2N5O3S/c1-3-5-18(15-9-10-26-22(12-15)34(2,32)33)28-23(31)29-11-4-6-20-21(29)14-27-30(20)19-8-7-16(24)13-17(19)25/h7-10,12-14,18H,3-6,11H2,1-2H3,(H,28,31)/t18-/m0/s1
InChIKeyVEKHOASCGRVBRD-SFHVURJKSA-N
XLogP3.95
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57405426) is 1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CCC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is VEKHOASCGRVBRD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25F2N5O3S/c1-3-5-18(15-9-10-26-22(12-15)34(2,32)33)28-23(31)29-11-4-6-20-21(29)14-27-30(20)19-8-7-16(24)13-17(19)25/h7-10,12-14,18H,3-6,11H2,1-2H3,(H,28,31)/t18-/m0/s1.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57405426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).