7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C23H30N8O — CID 166981731

IUPAC7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESC=Cn1c(C(=O)N(C)C)cc2cnc(Nc3ccc(CN4CCN(CC)CC4)cn3)nc21
InChIInChI=1S/C23H30N8O/c1-5-29-9-11-30(12-10-29)16-17-7-8-20(24-14-17)26-23-25-15-18-13-19(22(32)28(3)4)31(6-2)21(18)27-23/h6-8,13-15H,2,5,9-12,16H2,1,3-4H3,(H,24,25,26,27)
InChIKeyUQRYKNFSTGMPTG-UHFFFAOYSA-N
MW434.55 g/mol
LogP2.51
Rot. Bonds7

About 7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 166981731) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is 7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID166981731
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC Name7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESC=Cn1c(C(=O)N(C)C)cc2cnc(Nc3ccc(CN4CCN(CC)CC4)cn3)nc21
InChIInChI=1S/C23H30N8O/c1-5-29-9-11-30(12-10-29)16-17-7-8-20(24-14-17)26-23-25-15-18-13-19(22(32)28(3)4)31(6-2)21(18)27-23/h6-8,13-15H,2,5,9-12,16H2,1,3-4H3,(H,24,25,26,27)
InChIKeyUQRYKNFSTGMPTG-UHFFFAOYSA-N
XLogP2.51
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-cyclopentyl-2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44819647
5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
CID 172866624
7-cyclopentyl-2-[[5-[4-(2-ethylbutyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44819649
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-[[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005232
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-[[8-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005821
7-cyclopentyl-2-[[5-[4-[[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586738
[4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl sulfamate
CID 121382922
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

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 166981731) is 7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is C=Cn1c(C(=O)N(C)C)cc2cnc(Nc3ccc(CN4CCN(CC)CC4)cn3)nc21.
What is the InChIKey of 7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UQRYKNFSTGMPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-5-29-9-11-30(12-10-29)16-17-7-8-20(24-14-17)26-23-25-15-18-13-19(22(32)28(3)4)31(6-2)21(18)27-23/h6-8,13-15H,2,5,9-12,16H2,1,3-4H3,(H,24,25,26,27).
What are the key properties of 7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 434.55 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-2-[[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166981731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).