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

C20H18FN5O3S2 — CID 45137391

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(S(C)(=O)=O)cs1
InChIInChI=1S/C20H18FN5O3S2/c1-3-16(20-25-18(11-30-20)31(2,28)29)24-19(27)15-8-22-10-17-14(15)9-23-26(17)13-6-4-12(21)5-7-13/h4-11,16H,3H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyUBSJDTLBFKWVKK-INIZCTEOSA-N
MW459.53 g/mol
LogP3.30
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45137391) has the molecular formula C20H18FN5O3S2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45137391
Molecular FormulaC20H18FN5O3S2
Molecular Weight459.53 g/mol
Exact Mass459.08
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(S(C)(=O)=O)cs1
InChIInChI=1S/C20H18FN5O3S2/c1-3-16(20-25-18(11-30-20)31(2,28)29)24-19(27)15-8-22-10-17-14(15)9-23-26(17)13-6-4-12(21)5-7-13/h4-11,16H,3H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyUBSJDTLBFKWVKK-INIZCTEOSA-N
XLogP3.30
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.30
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-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45137391) is 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(S(C)(=O)=O)cs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is UBSJDTLBFKWVKK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18FN5O3S2/c1-3-16(20-25-18(11-30-20)31(2,28)29)24-19(27)15-8-22-10-17-14(15)9-23-26(17)13-6-4-12(21)5-7-13/h4-11,16H,3H2,1-2H3,(H,24,27)/t16-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.30, 6 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-(4-methylsulfonyl-1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45137391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).