3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole

C18H17F3N4 — CID 167285993

IUPAC3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole
SMILESCc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(N4CCCC4)ccc23)n1
InChIInChI=1S/C18H17F3N4/c1-11-22-10-15(18(19,20)21)17(24-11)14-9-23-16-8-12(4-5-13(14)16)25-6-2-3-7-25/h4-5,8-10,23H,2-3,6-7H2,1H3
InChIKeyXSPJETFDEKEXHK-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.55
Rot. Bonds2

About 3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole

3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole (PubChem CID 167285993) has the molecular formula C18H17F3N4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole.

Molecular Properties

Compound Name3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole
PubChem CID167285993
Molecular FormulaC18H17F3N4
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole
SMILESCc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(N4CCCC4)ccc23)n1
InChIInChI=1S/C18H17F3N4/c1-11-22-10-15(18(19,20)21)17(24-11)14-9-23-16-8-12(4-5-13(14)16)25-6-2-3-7-25/h4-5,8-10,23H,2-3,6-7H2,1H3
InChIKeyXSPJETFDEKEXHK-UHFFFAOYSA-N
XLogP4.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-piperidin-3-yl]-4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 145444159
1-[3-[2-(piperidin-3-ylideneamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]pyrrolidin-2-one
CID 174069285
1-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]pyrrolidin-2-one
CID 169428858
6-fluoro-1-methyl-3-[4-(6-pyrrolidin-1-yl-1H-indol-3-yl)-1H-pyrrol-3-yl]indole
CID 141039319
methyl 3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carboxylate
CID 170129473
3-[2-[[(1S,2S)-2-amino-4-methylcyclohex-3-en-1-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile
CID 142624293
4-[6-(3H-benzimidazol-5-yl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 162664096
3-[2-(morpholin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile
CID 139336017
4-[6-(1,3-benzothiazol-6-yl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 162670514
(4-hydroxy-4-methylpiperidin-1-yl)-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]methanone
CID 142751811
3-[2-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile
CID 142751806
3,5-dimethyl-4-[3-[2-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-1,2-oxazole
CID 163746687

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole?
The IUPAC name of 3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole (CID 167285993) is 3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole.
What is the SMILES notation for 3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole?
The canonical SMILES for 3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole is Cc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(N4CCCC4)ccc23)n1.
What is the InChIKey of 3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole?
The InChIKey is XSPJETFDEKEXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4/c1-11-22-10-15(18(19,20)21)17(24-11)14-9-23-16-8-12(4-5-13(14)16)25-6-2-3-7-25/h4-5,8-10,23H,2-3,6-7H2,1H3.
What are the key properties of 3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole?
3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole has a molecular weight of 346.36 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-pyrrolidin-1-yl-1H-indole is sourced from PubChem (CID 167285993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).