N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C25H28F2N4O4S — CID 123282904

IUPACN-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cc(F)ccc3OC3CC3)cc12
InChIInChI=1S/C25H28F2N4O4S/c1-25(2,3)36(33,34)29-24(32)20-13-28-31-9-8-17(12-22(20)31)30-14-16(27)11-21(30)19-10-15(26)4-7-23(19)35-18-5-6-18/h4,7-10,12-13,16,18,21H,5-6,11,14H2,1-3H3,(H,29,32)
InChIKeyYPBHYYNSDJFWLB-UHFFFAOYSA-N
MW518.59 g/mol
LogP4.16
Rot. Bonds6

About N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 123282904) has the molecular formula C25H28F2N4O4S and a molecular weight of 518.59 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID123282904
Molecular FormulaC25H28F2N4O4S
Molecular Weight518.59 g/mol
Exact Mass518.18
IUPAC NameN-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cc(F)ccc3OC3CC3)cc12
InChIInChI=1S/C25H28F2N4O4S/c1-25(2,3)36(33,34)29-24(32)20-13-28-31-9-8-17(12-22(20)31)30-14-16(27)11-21(30)19-10-15(26)4-7-23(19)35-18-5-6-18/h4,7-10,12-13,16,18,21H,5-6,11,14H2,1-3H3,(H,29,32)
InChIKeyYPBHYYNSDJFWLB-UHFFFAOYSA-N
XLogP4.16
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide
CID 155527767
US20240374587, Example I''-143
CID 164755100
US12227509, Example I-136
CID 164755123
US12227509, Example I-118
CID 164755148
US12227509, Example I-119
CID 164755184
US20240374587, Example I''-124
CID 164755204
US12227509, Example I-150
CID 164755208
{5-[1-(2-Ethoxybenzoyl)-4-piperidyl]pyrazolo[1,5-a]pyridin-3-yl}(1-pyrrolidinyl)methanone
CID 50848421
5-acetamido-N-(2-methoxybenzyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 91816962
6-(2-ethoxyphenyl)-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233718
2-(4-fluorophenyl)-5-[(3-methoxyphenyl)sulfonylamino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233724
2-(4-fluorophenyl)-N-methyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233764

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 123282904) is N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CC(F)CC3c3cc(F)ccc3OC3CC3)cc12.
What is the InChIKey of N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is YPBHYYNSDJFWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O4S/c1-25(2,3)36(33,34)29-24(32)20-13-28-31-9-8-17(12-22(20)31)30-14-16(27)11-21(30)19-10-15(26)4-7-23(19)35-18-5-6-18/h4,7-10,12-13,16,18,21H,5-6,11,14H2,1-3H3,(H,29,32).
What are the key properties of N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 518.59 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-5-[2-(2-cyclopropyloxy-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 123282904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).