3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide

C24H27FN6O2S — CID 172631085

IUPAC3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cc2ncc(-c3cc(C(=O)N[C@H](C)c4ncccc4F)n(C)n3)n2cc1SC(C)(C)C
InChIInChI=1S/C24H27FN6O2S/c1-14(22-15(25)8-7-9-26-22)28-23(32)17-10-16(29-30(17)5)18-12-27-21-11-19(33-6)20(13-31(18)21)34-24(2,3)4/h7-14H,1-6H3,(H,28,32)/t14-/m1/s1
InChIKeyMHNFLHRZONZHAW-CQSZACIVSA-N
MW482.59 g/mol
LogP4.66
Rot. Bonds6

About 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide

3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 172631085) has the molecular formula C24H27FN6O2S and a molecular weight of 482.59 g/mol. Its IUPAC name is 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID172631085
Molecular FormulaC24H27FN6O2S
Molecular Weight482.59 g/mol
Exact Mass482.19
IUPAC Name3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cc2ncc(-c3cc(C(=O)N[C@H](C)c4ncccc4F)n(C)n3)n2cc1SC(C)(C)C
InChIInChI=1S/C24H27FN6O2S/c1-14(22-15(25)8-7-9-26-22)28-23(32)17-10-16(29-30(17)5)18-12-27-21-11-19(33-6)20(13-31(18)21)34-24(2,3)4/h7-14H,1-6H3,(H,28,32)/t14-/m1/s1
InChIKeyMHNFLHRZONZHAW-CQSZACIVSA-N
XLogP4.66
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-(1-methylazetidin-3-yl)pyrazole-5-carboxamide
CID 172631185
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 178094171
methyl 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazole-5-carboxylate
CID 172630977
6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 170616482
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline
CID 170616433
N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 125421805
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline
CID 170616490
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide
CID 178094002
6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine
CID 170616344
1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 172630970
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(E)-cyclobutyl(ethylidene)-λ4-sulfanyl]-3-fluoro-2-methoxyaniline
CID 178093965

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide (CID 172631085) is 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide is COc1cc2ncc(-c3cc(C(=O)N[C@H](C)c4ncccc4F)n(C)n3)n2cc1SC(C)(C)C.
What is the InChIKey of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is MHNFLHRZONZHAW-CQSZACIVSA-N. The full InChI is InChI=1S/C24H27FN6O2S/c1-14(22-15(25)8-7-9-26-22)28-23(32)17-10-16(29-30(17)5)18-12-27-21-11-19(33-6)20(13-31(18)21)34-24(2,3)4/h7-14H,1-6H3,(H,28,32)/t14-/m1/s1.
What are the key properties of 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide?
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 172631085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).