7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C33H37F3N8O2 — CID 171527636

IUPAC7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)CCc5ccc(C(F)(F)F)cc5)CC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C33H37F3N8O2/c1-41(2)31(46)27-19-23-20-38-32(40-30(23)44(27)25-5-3-4-6-25)39-28-13-12-26(21-37-28)42-15-17-43(18-16-42)29(45)14-9-22-7-10-24(11-8-22)33(34,35)36/h7-8,10-13,19-21,25H,3-6,9,14-18H2,1-2H3,(H,37,38,39,40)
InChIKeyUGWARHOLUBBPNG-UHFFFAOYSA-N
MW634.71 g/mol
LogP5.69
Rot. Bonds8

About 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 171527636) has the molecular formula C33H37F3N8O2 and a molecular weight of 634.71 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID171527636
Molecular FormulaC33H37F3N8O2
Molecular Weight634.71 g/mol
Exact Mass634.30
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)CCc5ccc(C(F)(F)F)cc5)CC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C33H37F3N8O2/c1-41(2)31(46)27-19-23-20-38-32(40-30(23)44(27)25-5-3-4-6-25)39-28-13-12-26(21-37-28)42-15-17-43(18-16-42)29(45)14-9-22-7-10-24(11-8-22)33(34,35)36/h7-8,10-13,19-21,25H,3-6,9,14-18H2,1-2H3,(H,37,38,39,40)
InChIKeyUGWARHOLUBBPNG-UHFFFAOYSA-N
XLogP5.69
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.71
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418
2-[[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 146244200
7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425
7-cyclopentyl-2-[[5-[4-(3-hydroxypropyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818580
2-[[5-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818221
7-cyclopentyl-2-[[5-[4-(2-ethylbutyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44819649
tert-butyl 4-[4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]piperidine-1-carboxylate
CID 156789713
7-cyclopentyl-2-[[5-[4-(4-ethynylbenzoyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 171527817
7-cyclopentyl-N,N-dimethyl-2-[[5-(3-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818402
[4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl sulfamate
CID 121382922
2-[[5-[4-(2-cyclohexylacetyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid;N-methylmethanamine
CID 175224021
2-[[5-[4-[(E)-4-(2-chlorophenyl)-4-oxobut-2-enoyl]piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 171527782

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 171527636) is 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)CCc5ccc(C(F)(F)F)cc5)CC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UGWARHOLUBBPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N8O2/c1-41(2)31(46)27-19-23-20-38-32(40-30(23)44(27)25-5-3-4-6-25)39-28-13-12-26(21-37-28)42-15-17-43(18-16-42)29(45)14-9-22-7-10-24(11-8-22)33(34,35)36/h7-8,10-13,19-21,25H,3-6,9,14-18H2,1-2H3,(H,37,38,39,40).
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 634.71 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 171527636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).