1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone

C30H32F3N5O2 — CID 152945905

IUPAC1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone
SMILESCCOC(C)n1nc(-c2ccnc(C)c2)c2cc(C(=O)C[C@@H]3CN(C)C[C@H]3c3ccccc3C(F)(F)F)cnc21
InChIInChI=1S/C30H32F3N5O2/c1-5-40-19(3)38-29-24(28(36-38)20-10-11-34-18(2)12-20)13-21(15-35-29)27(39)14-22-16-37(4)17-25(22)23-8-6-7-9-26(23)30(31,32)33/h6-13,15,19,22,25H,5,14,16-17H2,1-4H3/t19?,22-,25-/m1/s1
InChIKeyUNSWWSKFARCMOU-VUVXDHNJSA-N
MW551.61 g/mol
LogP6.29
Rot. Bonds8

About 1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone

1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone (PubChem CID 152945905) has the molecular formula C30H32F3N5O2 and a molecular weight of 551.61 g/mol. Its IUPAC name is 1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone
PubChem CID152945905
Molecular FormulaC30H32F3N5O2
Molecular Weight551.61 g/mol
Exact Mass551.25
IUPAC Name1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone
SMILESCCOC(C)n1nc(-c2ccnc(C)c2)c2cc(C(=O)C[C@@H]3CN(C)C[C@H]3c3ccccc3C(F)(F)F)cnc21
InChIInChI=1S/C30H32F3N5O2/c1-5-40-19(3)38-29-24(28(36-38)20-10-11-34-18(2)12-20)13-21(15-35-29)27(39)14-22-16-37(4)17-25(22)23-8-6-7-9-26(23)30(31,32)33/h6-13,15,19,22,25H,5,14,16-17H2,1-4H3/t19?,22-,25-/m1/s1
InChIKeyUNSWWSKFARCMOU-VUVXDHNJSA-N
XLogP6.29
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone with MolForge

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Related Compounds

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US9873709, Example 2-218
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US9873709, Example 2-217
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N,N-dimethyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
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N-methyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
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3-(1-Methylindol-3-yl)-4-[1-(4-morpholin-4-ylbutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
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3-[1-(3-Morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-propan-2-ylindol-3-yl)pyrrole-2,5-dione
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1-[4-(3,7,8,10-Tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)phenyl]ethanone
CID 162648911

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone (CID 152945905) is 1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone is CCOC(C)n1nc(-c2ccnc(C)c2)c2cc(C(=O)C[C@@H]3CN(C)C[C@H]3c3ccccc3C(F)(F)F)cnc21.
What is the InChIKey of 1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone?
The InChIKey is UNSWWSKFARCMOU-VUVXDHNJSA-N. The full InChI is InChI=1S/C30H32F3N5O2/c1-5-40-19(3)38-29-24(28(36-38)20-10-11-34-18(2)12-20)13-21(15-35-29)27(39)14-22-16-37(4)17-25(22)23-8-6-7-9-26(23)30(31,32)33/h6-13,15,19,22,25H,5,14,16-17H2,1-4H3/t19?,22-,25-/m1/s1.
What are the key properties of 1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone?
1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone has a molecular weight of 551.61 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 152945905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).