4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole

C25H32F2N4O2 — CID 168994177

IUPAC4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole
SMILESCOCCn1cc([C@@H]2CC3(CCN2Cc2c(OC)cc(C)c4[nH]ccc24)CC(F)(F)C3)cn1
InChIInChI=1S/C25H32F2N4O2/c1-17-10-22(33-3)20(19-4-6-28-23(17)19)14-30-7-5-24(15-25(26,27)16-24)11-21(30)18-12-29-31(13-18)8-9-32-2/h4,6,10,12-13,21,28H,5,7-9,11,14-16H2,1-3H3/t21-/m0/s1
InChIKeyAYUYFRAOXMQDLK-NRFANRHFSA-N
MW458.55 g/mol
LogP5.08
Rot. Bonds7

About 4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole

4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole (PubChem CID 168994177) has the molecular formula C25H32F2N4O2 and a molecular weight of 458.55 g/mol. Its IUPAC name is 4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole.

Molecular Properties

Compound Name4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole
PubChem CID168994177
Molecular FormulaC25H32F2N4O2
Molecular Weight458.55 g/mol
Exact Mass458.25
IUPAC Name4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole
SMILESCOCCn1cc([C@@H]2CC3(CCN2Cc2c(OC)cc(C)c4[nH]ccc24)CC(F)(F)C3)cn1
InChIInChI=1S/C25H32F2N4O2/c1-17-10-22(33-3)20(19-4-6-28-23(17)19)14-30-7-5-24(15-25(26,27)16-24)11-21(30)18-12-29-31(13-18)8-9-32-2/h4,6,10,12-13,21,28H,5,7-9,11,14-16H2,1-3H3/t21-/m0/s1
InChIKeyAYUYFRAOXMQDLK-NRFANRHFSA-N
XLogP5.08
TPSA55.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.55
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole with MolForge

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Related Compounds

1-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)-3-(5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propan-2-ol
CID 10168197
4-(3-methoxypyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 89783137
2-[(1-Ethyl-3-methyl-4-pyrazolyl)methyl]-1-(4-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 16187798
5-methoxy-6-pyridin-4-yl-1H-indazole
CID 166635017
1-chloro-8-methoxy-7-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indole
CID 90388075
4-[2-[3-[(E)-2-[5-[(E)-2-(1H-indol-6-yl)ethenyl]-1H-pyrazol-3-yl]ethenyl]phenoxy]ethyl]morpholine
CID 117888992
4-(4-{3-[(dimethylamino) methyl]-5-fluorophenoxy} piperidin-1-yl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]butanenitrile
CID 126578278
US9682968, Example-36
CID 90467199
US9682968, Example-17-24
CID 121362585
2-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-fluoro-3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190070
1-(4-methoxy-2,3-dimethylphenyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16188659
2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190420

Frequently Asked Questions

What is the IUPAC name of 4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole?
The IUPAC name of 4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole (CID 168994177) is 4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole.
What is the SMILES notation for 4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole?
The canonical SMILES for 4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole is COCCn1cc([C@@H]2CC3(CCN2Cc2c(OC)cc(C)c4[nH]ccc24)CC(F)(F)C3)cn1.
What is the InChIKey of 4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole?
The InChIKey is AYUYFRAOXMQDLK-NRFANRHFSA-N. The full InChI is InChI=1S/C25H32F2N4O2/c1-17-10-22(33-3)20(19-4-6-28-23(17)19)14-30-7-5-24(15-25(26,27)16-24)11-21(30)18-12-29-31(13-18)8-9-32-2/h4,6,10,12-13,21,28H,5,7-9,11,14-16H2,1-3H3/t21-/m0/s1.
What are the key properties of 4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole?
4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole has a molecular weight of 458.55 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6S)-2,2-difluoro-6-[1-(2-methoxyethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonan-7-yl]methyl]-5-methoxy-7-methyl-1H-indole is sourced from PubChem (CID 168994177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).