tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate

C32H41F2N5O4 — CID 178046463

IUPACtert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate
SMILESCc1c(CCOc2c(-c3ccn4ncc(CN(C)C(=O)OC(C)(C)C)c4c3)ccc(F)c2F)c(C(O)C(C)(C)C)nn1C
InChIInChI=1S/C32H41F2N5O4/c1-19-22(27(36-38(19)9)29(40)31(2,3)4)13-15-42-28-23(10-11-24(33)26(28)34)20-12-14-39-25(16-20)21(17-35-39)18-37(8)30(41)43-32(5,6)7/h10-12,14,16-17,29,40H,13,15,18H2,1-9H3
InChIKeyPNQVCCORMDUNTL-UHFFFAOYSA-N
MW597.71 g/mol
LogP6.39
Rot. Bonds8

About tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate (PubChem CID 178046463) has the molecular formula C32H41F2N5O4 and a molecular weight of 597.71 g/mol. Its IUPAC name is tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate
PubChem CID178046463
Molecular FormulaC32H41F2N5O4
Molecular Weight597.71 g/mol
Exact Mass597.31
IUPAC Nametert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate
SMILESCc1c(CCOc2c(-c3ccn4ncc(CN(C)C(=O)OC(C)(C)C)c4c3)ccc(F)c2F)c(C(O)C(C)(C)C)nn1C
InChIInChI=1S/C32H41F2N5O4/c1-19-22(27(36-38(19)9)29(40)31(2,3)4)13-15-42-28-23(10-11-24(33)26(28)34)20-12-14-39-25(16-20)21(17-35-39)18-37(8)30(41)43-32(5,6)7/h10-12,14,16-17,29,40H,13,15,18H2,1-9H3
InChIKeyPNQVCCORMDUNTL-UHFFFAOYSA-N
XLogP6.39
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.71
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(3-fluoro-1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]-7-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate
CID 178046454
1-[4-[2-[6-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 171065712
tert-butyl N-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 171065779
1-[4-[2-[2,3-difluoro-6-[7-methoxy-3-(methylaminomethyl)pyrazolo[1,5-a]pyridin-5-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-3-fluoro-2,2-dimethylpropan-1-ol
CID 178046459
1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-3-fluoro-2,2-dimethylpropan-1-ol
CID 178046616
tert-butyl N-[[6-[3,4-difluoro-2-[2-[3-[1-(methoxymethoxy)cyclobutyl]-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]quinolin-4-yl]methyl]-N-methylcarbamate
CID 178046563
(1R)-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 172639755
1-[4-[2-[6-[4-[(cyclobutylamino)methyl]quinolin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
CID 178046439
2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol
CID 178168735
5-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-3-propylindazole
CID 147151139
6-[4-[[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methyl-methylcarbamoyl]oxymethyl]-2-[3-[3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoylamino]propanoylamino]phenoxy]-4-hydroxyoxane-2-carboxylic acid
CID 171065739
4-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2-[2-(dimethylamino)ethanimidoyl]-N-methylaniline
CID 149200243

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate (CID 178046463) is tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate is Cc1c(CCOc2c(-c3ccn4ncc(CN(C)C(=O)OC(C)(C)C)c4c3)ccc(F)c2F)c(C(O)C(C)(C)C)nn1C.
What is the InChIKey of tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate?
The InChIKey is PNQVCCORMDUNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41F2N5O4/c1-19-22(27(36-38(19)9)29(40)31(2,3)4)13-15-42-28-23(10-11-24(33)26(28)34)20-12-14-39-25(16-20)21(17-35-39)18-37(8)30(41)43-32(5,6)7/h10-12,14,16-17,29,40H,13,15,18H2,1-9H3.
What are the key properties of tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate has a molecular weight of 597.71 g/mol, XLogP of 6.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 178046463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).