(5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C19H23FN4O3 — CID 129479309

IUPAC(5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)NC[C@@H]1CCn2ncc(C(=O)NC[C@@H](O)c3cccc(F)c3)c2C1
InChIInChI=1S/C19H23FN4O3/c1-12(25)21-9-13-5-6-24-17(7-13)16(10-23-24)19(27)22-11-18(26)14-3-2-4-15(20)8-14/h2-4,8,10,13,18,26H,5-7,9,11H2,1H3,(H,21,25)(H,22,27)/t13-,18-/m1/s1
InChIKeyQDJNOLSFTPPJAX-FZKQIMNGSA-N
MW374.42 g/mol
LogP1.18
Rot. Bonds6

About (5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 129479309) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is (5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID129479309
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name(5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)NC[C@@H]1CCn2ncc(C(=O)NC[C@@H](O)c3cccc(F)c3)c2C1
InChIInChI=1S/C19H23FN4O3/c1-12(25)21-9-13-5-6-24-17(7-13)16(10-23-24)19(27)22-11-18(26)14-3-2-4-15(20)8-14/h2-4,8,10,13,18,26H,5-7,9,11H2,1H3,(H,21,25)(H,22,27)/t13-,18-/m1/s1
InChIKeyQDJNOLSFTPPJAX-FZKQIMNGSA-N
XLogP1.18
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of (5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 129479309) is (5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for (5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for (5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC[C@@H](O)c3cccc(F)c3)c2C1.
What is the InChIKey of (5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is QDJNOLSFTPPJAX-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-12(25)21-9-13-5-6-24-17(7-13)16(10-23-24)19(27)22-11-18(26)14-3-2-4-15(20)8-14/h2-4,8,10,13,18,26H,5-7,9,11H2,1H3,(H,21,25)(H,22,27)/t13-,18-/m1/s1.
What are the key properties of (5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
(5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(acetamidomethyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 129479309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).