N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C26H31FN4O4S — CID 71598811

IUPACN-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCC3CC3)cc12
InChIInChI=1S/C26H31FN4O4S/c1-26(2,3)36(33,34)29-25(32)21-15-28-31-12-10-19(14-23(21)31)30-11-4-5-22(30)20-13-18(27)8-9-24(20)35-16-17-6-7-17/h8-10,12-15,17,22H,4-7,11,16H2,1-3H3,(H,29,32)/t22-/m1/s1
InChIKeyNVKOLPLZLIXBQF-JOCHJYFZSA-N
MW514.62 g/mol
LogP4.46
Rot. Bonds7

About N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71598811) has the molecular formula C26H31FN4O4S and a molecular weight of 514.62 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71598811
Molecular FormulaC26H31FN4O4S
Molecular Weight514.62 g/mol
Exact Mass514.21
IUPAC NameN-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCC3CC3)cc12
InChIInChI=1S/C26H31FN4O4S/c1-26(2,3)36(33,34)29-25(32)21-15-28-31-12-10-19(14-23(21)31)30-11-4-5-22(30)20-13-18(27)8-9-24(20)35-16-17-6-7-17/h8-10,12-15,17,22H,4-7,11,16H2,1-3H3,(H,29,32)/t22-/m1/s1
InChIKeyNVKOLPLZLIXBQF-JOCHJYFZSA-N
XLogP4.46
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71598811) is N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCC3CC3)cc12.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NVKOLPLZLIXBQF-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H31FN4O4S/c1-26(2,3)36(33,34)29-25(32)21-15-28-31-12-10-19(14-23(21)31)30-11-4-5-22(30)20-13-18(27)8-9-24(20)35-16-17-6-7-17/h8-10,12-15,17,22H,4-7,11,16H2,1-3H3,(H,29,32)/t22-/m1/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 514.62 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-5-[(2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71598811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).