5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C30H31F2N5O — CID 71599516

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(N[C@H](CN1CCCC1)c1ccccc1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C30H31F2N5O/c31-22-10-11-26(32)24(17-22)28-9-6-15-36(28)23-12-16-37-29(18-23)25(19-33-37)30(38)34-27(20-35-13-4-5-14-35)21-7-2-1-3-8-21/h1-3,7-8,10-12,16-19,27-28H,4-6,9,13-15,20H2,(H,34,38)/t27-,28-/m1/s1
InChIKeyUXJVUNCWQSQNIP-VSGBNLITSA-N
MW515.61 g/mol
LogP5.52
Rot. Bonds7

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599516) has the molecular formula C30H31F2N5O and a molecular weight of 515.61 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599516
Molecular FormulaC30H31F2N5O
Molecular Weight515.61 g/mol
Exact Mass515.25
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(N[C@H](CN1CCCC1)c1ccccc1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C30H31F2N5O/c31-22-10-11-26(32)24(17-22)28-9-6-15-36(28)23-12-16-37-29(18-23)25(19-33-37)30(38)34-27(20-35-13-4-5-14-35)21-7-2-1-3-8-21/h1-3,7-8,10-12,16-19,27-28H,4-6,9,13-15,20H2,(H,34,38)/t27-,28-/m1/s1
InChIKeyUXJVUNCWQSQNIP-VSGBNLITSA-N
XLogP5.52
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71599516) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is UXJVUNCWQSQNIP-VSGBNLITSA-N. The full InChI is InChI=1S/C30H31F2N5O/c31-22-10-11-26(32)24(17-22)28-9-6-15-36(28)23-12-16-37-29(18-23)25(19-33-37)30(38)34-27(20-35-13-4-5-14-35)21-7-2-1-3-8-21/h1-3,7-8,10-12,16-19,27-28H,4-6,9,13-15,20H2,(H,34,38)/t27-,28-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).