[1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone

C27H30N4O2S — CID 118410867

IUPAC[1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
SMILESCOc1cccc(-c2nc(-n3nc(C(=O)N4CC[C@@H](C)C4)c4cc(C)ccc43)sc2C(C)C)c1
InChIInChI=1S/C27H30N4O2S/c1-16(2)25-23(19-7-6-8-20(14-19)33-5)28-27(34-25)31-22-10-9-17(3)13-21(22)24(29-31)26(32)30-12-11-18(4)15-30/h6-10,13-14,16,18H,11-12,15H2,1-5H3/t18-/m1/s1
InChIKeyFDUZYUFNIHKPFE-GOSISDBHSA-N
MW474.63 g/mol
LogP6.07
Rot. Bonds5

About [1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone

[1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 118410867) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is [1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
PubChem CID118410867
Molecular FormulaC27H30N4O2S
Molecular Weight474.63 g/mol
Exact Mass474.21
IUPAC Name[1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
SMILESCOc1cccc(-c2nc(-n3nc(C(=O)N4CC[C@@H](C)C4)c4cc(C)ccc43)sc2C(C)C)c1
InChIInChI=1S/C27H30N4O2S/c1-16(2)25-23(19-7-6-8-20(14-19)33-5)28-27(34-25)31-22-10-9-17(3)13-21(22)24(29-31)26(32)30-12-11-18(4)15-30/h6-10,13-14,16,18H,11-12,15H2,1-5H3/t18-/m1/s1
InChIKeyFDUZYUFNIHKPFE-GOSISDBHSA-N
XLogP6.07
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-hydroxypiperidin-1-yl)-[1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-(trifluoromethyl)indazol-3-yl]methanone
CID 74222412
N-[[1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]methyl]propan-1-amine
CID 118410896
1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-N-piperidin-3-yl-5-(trifluoromethyl)indazole-3-carboxamide
CID 74222758
[1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-(trifluoromethyl)indazol-3-yl]methanamine
CID 74222851
[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 20856255
2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole
CID 160973028
[6-(3-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211283
3-(3-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248652
4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332379
cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone
CID 42811179
[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997600
[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110373220

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone (CID 118410867) is [1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone is COc1cccc(-c2nc(-n3nc(C(=O)N4CC[C@@H](C)C4)c4cc(C)ccc43)sc2C(C)C)c1.
What is the InChIKey of [1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is FDUZYUFNIHKPFE-GOSISDBHSA-N. The full InChI is InChI=1S/C27H30N4O2S/c1-16(2)25-23(19-7-6-8-20(14-19)33-5)28-27(34-25)31-22-10-9-17(3)13-21(22)24(29-31)26(32)30-12-11-18(4)15-30/h6-10,13-14,16,18H,11-12,15H2,1-5H3/t18-/m1/s1.
What are the key properties of [1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone?
[1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 474.63 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-methylindazol-3-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 118410867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).