N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C27H23F2N5O4S — CID 140893643

IUPACN-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN1C(=O)[C@H](N2CCC[C@@H]2c2cc(F)ccc2F)c2cc(S(=O)(=O)NC(=O)c3cnn4ccccc34)ccc21
InChIInChI=1S/C27H23F2N5O4S/c1-32-22-10-8-17(39(37,38)31-26(35)20-15-30-34-12-3-2-5-24(20)34)14-19(22)25(27(32)36)33-11-4-6-23(33)18-13-16(28)7-9-21(18)29/h2-3,5,7-10,12-15,23,25H,4,6,11H2,1H3,(H,31,35)/t23-,25-/m1/s1
InChIKeyGTPFBBXCIYYZDS-ILBGXUMGSA-N
MW551.58 g/mol
LogP3.59
Rot. Bonds5

About N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 140893643) has the molecular formula C27H23F2N5O4S and a molecular weight of 551.58 g/mol. Its IUPAC name is N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID140893643
Molecular FormulaC27H23F2N5O4S
Molecular Weight551.58 g/mol
Exact Mass551.14
IUPAC NameN-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN1C(=O)[C@H](N2CCC[C@@H]2c2cc(F)ccc2F)c2cc(S(=O)(=O)NC(=O)c3cnn4ccccc34)ccc21
InChIInChI=1S/C27H23F2N5O4S/c1-32-22-10-8-17(39(37,38)31-26(35)20-15-30-34-12-3-2-5-24(20)34)14-19(22)25(27(32)36)33-11-4-6-23(33)18-13-16(28)7-9-21(18)29/h2-3,5,7-10,12-15,23,25H,4,6,11H2,1H3,(H,31,35)/t23-,25-/m1/s1
InChIKeyGTPFBBXCIYYZDS-ILBGXUMGSA-N
XLogP3.59
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.58
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 140893643) is N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CN1C(=O)[C@H](N2CCC[C@@H]2c2cc(F)ccc2F)c2cc(S(=O)(=O)NC(=O)c3cnn4ccccc34)ccc21.
What is the InChIKey of N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is GTPFBBXCIYYZDS-ILBGXUMGSA-N. The full InChI is InChI=1S/C27H23F2N5O4S/c1-32-22-10-8-17(39(37,38)31-26(35)20-15-30-34-12-3-2-5-24(20)34)14-19(22)25(27(32)36)33-11-4-6-23(33)18-13-16(28)7-9-21(18)29/h2-3,5,7-10,12-15,23,25H,4,6,11H2,1H3,(H,31,35)/t23-,25-/m1/s1.
What are the key properties of N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 551.58 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-methyl-2-oxo-3H-indol-5-yl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 140893643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).