N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C18H21F2N3O2 — CID 124883388

IUPACN-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC[C@H](NC(=O)c1cnn2c1CCCC2)[C@H](O)c1c(F)cccc1F
InChIInChI=1S/C18H21F2N3O2/c1-2-14(17(24)16-12(19)6-5-7-13(16)20)22-18(25)11-10-21-23-9-4-3-8-15(11)23/h5-7,10,14,17,24H,2-4,8-9H2,1H3,(H,22,25)/t14-,17-/m0/s1
InChIKeyDYKOWKVBUCZBPE-YOEHRIQHSA-N
MW349.38 g/mol
LogP2.74
Rot. Bonds5

About N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 124883388) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID124883388
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC NameN-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC[C@H](NC(=O)c1cnn2c1CCCC2)[C@H](O)c1c(F)cccc1F
InChIInChI=1S/C18H21F2N3O2/c1-2-14(17(24)16-12(19)6-5-7-13(16)20)22-18(25)11-10-21-23-9-4-3-8-15(11)23/h5-7,10,14,17,24H,2-4,8-9H2,1H3,(H,22,25)/t14-,17-/m0/s1
InChIKeyDYKOWKVBUCZBPE-YOEHRIQHSA-N
XLogP2.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124574775
2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 120525619
N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 75520895
N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 86787157
8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid
CID 120535565
2-(4-bromophenyl)-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)acetic acid
CID 120518139
4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid
CID 120512943
2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one
CID 86267037
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 120530814
1-cyanobutan-2-yl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 91662317
N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide
CID 154844616
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120512689

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 124883388) is N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC[C@H](NC(=O)c1cnn2c1CCCC2)[C@H](O)c1c(F)cccc1F.
What is the InChIKey of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DYKOWKVBUCZBPE-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-2-14(17(24)16-12(19)6-5-7-13(16)20)22-18(25)11-10-21-23-9-4-3-8-15(11)23/h5-7,10,14,17,24H,2-4,8-9H2,1H3,(H,22,25)/t14-,17-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 124883388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).