[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone

C23H25F2N3O2 — CID 162773985

IUPAC[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCc1nn2c(C(C)C)c(C(=O)N3CCOC[C@H]3C)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C23H25F2N3O2/c1-13(2)22-16(23(29)27-10-11-30-12-14(27)3)8-9-19-20(15(4)26-28(19)22)21-17(24)6-5-7-18(21)25/h5-9,13-14H,10-12H2,1-4H3/t14-/m1/s1
InChIKeyYXACDIXDIWAHRG-CQSZACIVSA-N
MW413.47 g/mol
LogP4.57
Rot. Bonds3

About [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone

[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 162773985) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID162773985
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCc1nn2c(C(C)C)c(C(=O)N3CCOC[C@H]3C)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C23H25F2N3O2/c1-13(2)22-16(23(29)27-10-11-30-12-14(27)3)8-9-19-20(15(4)26-28(19)22)21-17(24)6-5-7-18(21)25/h5-9,13-14H,10-12H2,1-4H3/t14-/m1/s1
InChIKeyYXACDIXDIWAHRG-CQSZACIVSA-N
XLogP4.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 177097844
3-(2,6-difluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773976
3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773884
3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773853
N-[cyclopropyl(phenyl)methyl]-3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773854
3-(2,6-difluorophenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773965
(3-methylmorpholin-4-yl)-(6-propan-2-yl-2-pyridinyl)methanone
CID 177347142
3-(2,6-difluorophenyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 166973079
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545
(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97332849
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539
2-[(3S)-3-methylmorpholine-4-carbonyl]benzonitrile
CID 130179782

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone (CID 162773985) is [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone is Cc1nn2c(C(C)C)c(C(=O)N3CCOC[C@H]3C)ccc2c1-c1c(F)cccc1F.
What is the InChIKey of [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is YXACDIXDIWAHRG-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-13(2)22-16(23(29)27-10-11-30-12-14(27)3)8-9-19-20(15(4)26-28(19)22)21-17(24)6-5-7-18(21)25/h5-9,13-14H,10-12H2,1-4H3/t14-/m1/s1.
What are the key properties of [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 413.47 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 162773985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).