2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide

C24H28N4O3 — CID 70816879

IUPAC2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCCOc1ccc2c(c1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1
InChIInChI=1S/C24H28N4O3/c1-4-30-17-8-9-18-16(12-17)7-10-19(18)25-20(29)13-31-21-11-14(2)22-23(15-5-6-15)27-28(3)24(22)26-21/h8-9,11-12,15,19H,4-7,10,13H2,1-3H3,(H,25,29)/t19-/m0/s1
InChIKeyOJFITYODHBZMLE-IBGZPJMESA-N
MW420.51 g/mol
LogP3.74
Rot. Bonds7

About 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide

2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 70816879) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID70816879
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCCOc1ccc2c(c1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1
InChIInChI=1S/C24H28N4O3/c1-4-30-17-8-9-18-16(12-17)7-10-19(18)25-20(29)13-31-21-11-14(2)22-23(15-5-6-15)27-28(3)24(22)26-21/h8-9,11-12,15,19H,4-7,10,13H2,1-3H3,(H,25,29)/t19-/m0/s1
InChIKeyOJFITYODHBZMLE-IBGZPJMESA-N
XLogP3.74
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazolo[1,5-a]-1,3,5-triazine, 12-12
CID 42618175
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11509709
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11697131
9-(3-Pentylamino)-6-methyl-5-(2-methyl-4-methoxyphenyl)-2,3-dihydro-furo[3,2-d]pyrazolo[1,5-a]pyrimidine
CID 22177839
2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)-1,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]-N-(1-phenylethyl)acetamide
CID 50799599
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 52947738
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxyacetamide
CID 53242213
2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[3,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 67209228
N-[1-(4-methoxyphenyl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxyacetamide
CID 67209346
N-[1-(2-methoxyphenyl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxyacetamide
CID 67209359
N-[1-(3-methoxyphenyl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxyacetamide
CID 67209405
2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxy-N-(1-pyridin-3-ylethyl)acetamide
CID 67209575

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide (CID 70816879) is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide is CCOc1ccc2c(c1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1.
What is the InChIKey of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is OJFITYODHBZMLE-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-30-17-8-9-18-16(12-17)7-10-19(18)25-20(29)13-31-21-11-14(2)22-23(15-5-6-15)27-28(3)24(22)26-21/h8-9,11-12,15,19H,4-7,10,13H2,1-3H3,(H,25,29)/t19-/m0/s1.
What are the key properties of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide?
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 70816879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).