(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide

C20H23FN6O — CID 155749655

IUPAC(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ccncc2F)CCN1C(=O)N[C@H](C)c1cccn2nccc12
InChIInChI=1S/C20H23FN6O/c1-14-13-25(19-5-7-22-12-17(19)21)10-11-26(14)20(28)24-15(2)16-4-3-9-27-18(16)6-8-23-27/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,24,28)/t14-,15-/m1/s1
InChIKeyXTFGBSSJYGEUTQ-HUUCEWRRSA-N
MW382.44 g/mol
LogP2.85
Rot. Bonds3

About (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide

(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide (PubChem CID 155749655) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide
PubChem CID155749655
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ccncc2F)CCN1C(=O)N[C@H](C)c1cccn2nccc12
InChIInChI=1S/C20H23FN6O/c1-14-13-25(19-5-7-22-12-17(19)21)10-11-26(14)20(28)24-15(2)16-4-3-9-27-18(16)6-8-23-27/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,24,28)/t14-,15-/m1/s1
InChIKeyXTFGBSSJYGEUTQ-HUUCEWRRSA-N
XLogP2.85
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide?
The IUPAC name of (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide (CID 155749655) is (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide is C[C@@H]1CN(c2ccncc2F)CCN1C(=O)N[C@H](C)c1cccn2nccc12.
What is the InChIKey of (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide?
The InChIKey is XTFGBSSJYGEUTQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-14-13-25(19-5-7-22-12-17(19)21)10-11-26(14)20(28)24-15(2)16-4-3-9-27-18(16)6-8-23-27/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,24,28)/t14-,15-/m1/s1.
What are the key properties of (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide?
(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 155749655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).