1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C19H16FN5O3S2 — CID 59278360

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc(S(C)(=O)=O)s1
InChIInChI=1S/C19H16FN5O3S2/c1-11(17-10-22-19(29-17)30(2,27)28)24-18(26)15-7-21-9-16-14(15)8-23-25(16)13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,24,26)/t11-/m0/s1
InChIKeyRJHIFKKVZJSHSP-NSHDSACASA-N
MW445.50 g/mol
LogP2.91
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278360) has the molecular formula C19H16FN5O3S2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278360
Molecular FormulaC19H16FN5O3S2
Molecular Weight445.50 g/mol
Exact Mass445.07
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc(S(C)(=O)=O)s1
InChIInChI=1S/C19H16FN5O3S2/c1-11(17-10-22-19(29-17)30(2,27)28)24-18(26)15-7-21-9-16-14(15)8-23-25(16)13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,24,26)/t11-/m0/s1
InChIKeyRJHIFKKVZJSHSP-NSHDSACASA-N
XLogP2.91
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278360) is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnc(S(C)(=O)=O)s1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is RJHIFKKVZJSHSP-NSHDSACASA-N. The full InChI is InChI=1S/C19H16FN5O3S2/c1-11(17-10-22-19(29-17)30(2,27)28)24-18(26)15-7-21-9-16-14(15)8-23-25(16)13-5-3-12(20)4-6-13/h3-11H,1-2H3,(H,24,26)/t11-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-5-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).