7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C102H136N26O5 — CID 157101204

IUPAC7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(CC)n1c(C(=O)N(C)C)cc2cnc(Nc3ccc(CN4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)NC2CCCC2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CN(C)C(=O)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCOCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C27H37N7O.C25H35N7O.C25H32N6O2.C25H32N6O/c1-3-22(4-2)34-24(26(35)30-20-7-5-6-8-20)17-19-18-29-27(32-25(19)34)31-21-9-11-23(12-10-21)33-15-13-28-14-16-33;1-5-21(6-2)32-22(24(33)30(3)4)15-19-16-27-25(29-23(19)32)28-20-9-7-18(8-10-20)17-31-13-11-26-12-14-31;1-29(2)24(32)22-15-19-16-26-25(28-23(19)31(22)21-5-3-4-6-21)27-20-9-7-18(8-10-20)17-30-11-13-33-14-12-30;1-30(2)24(32)22-15-19-16-27-25(29-23(19)31(22)21-5-3-4-6-21)28-20-9-7-17(8-10-20)18-11-13-26-14-12-18/h9-12,17-18,20,22,28H,3-8,13-16H2,1-2H3,(H,30,35)(H,29,31,32);7-10,15-16,21,26H,5-6,11-14,17H2,1-4H3,(H,27,28,29);7-10,15-16,21H,3-6,11-14,17H2,1-2H3,(H,26,27,28);7-10,15-16,18,21,26H,3-6,11-14H2,1-2H3,(H,27,28,29)
InChIKeyAFTYXYIVSBXTGJ-UHFFFAOYSA-N
MW1806.39 g/mol
LogP16.54
Rot. Bonds27

About 7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 157101204) has the molecular formula C102H136N26O5 and a molecular weight of 1806.39 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID157101204
Molecular FormulaC102H136N26O5
Molecular Weight1806.39 g/mol
Exact Mass1805.12
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(CC)n1c(C(=O)N(C)C)cc2cnc(Nc3ccc(CN4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)NC2CCCC2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CN(C)C(=O)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCOCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C27H37N7O.C25H35N7O.C25H32N6O2.C25H32N6O/c1-3-22(4-2)34-24(26(35)30-20-7-5-6-8-20)17-19-18-29-27(32-25(19)34)31-21-9-11-23(12-10-21)33-15-13-28-14-16-33;1-5-21(6-2)32-22(24(33)30(3)4)15-19-16-27-25(29-23(19)32)28-20-9-7-18(8-10-20)17-31-13-11-26-12-14-31;1-29(2)24(32)22-15-19-16-26-25(28-23(19)31(22)21-5-3-4-6-21)27-20-9-7-18(8-10-20)17-30-11-13-33-14-12-30;1-30(2)24(32)22-15-19-16-27-25(29-23(19)31(22)21-5-3-4-6-21)28-20-9-7-17(8-10-20)18-11-13-26-14-12-18/h9-12,17-18,20,22,28H,3-8,13-16H2,1-2H3,(H,30,35)(H,29,31,32);7-10,15-16,21,26H,5-6,11-14,17H2,1-4H3,(H,27,28,29);7-10,15-16,21H,3-6,11-14,17H2,1-2H3,(H,26,27,28);7-10,15-16,18,21,26H,3-6,11-14H2,1-2H3,(H,27,28,29)
InChIKeyAFTYXYIVSBXTGJ-UHFFFAOYSA-N
XLogP16.54
TPSA316.03 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001806.39
LogP ≤ 516.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[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

4-[[5-(4-Morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclopentane]-10-one
CID 68030152
4-[[5-(4-Morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 86269222
Icovamenib
CID 154988914
2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-N-(3-morpholinopropyl)-4-((S)-1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44432183
(2-(3H-imidazo[4,5-c]pyridin-3-yl)-7-methyl-4-((S)-1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)(morpholino)methanone
CID 44432184
2-[5-(7-Benzyl-9-oxa-3,7-diaza-bicyclo[3.3.1]nonane-3-carbonyl)-pyridin-2-ylamino]-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide
CID 67355729
N,N-dimethyl-7-(oxan-3-yl)-2-[[5-(2'-oxospiro[8-azabicyclo[3.2.1]octane-3,4'-pyrrolidine]-1'-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67377321
US9464092, Mmm
CID 86302986
4-(4-Morpholin-4-ylanilino)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclopentane]-10-one
CID 89798205
7-cyclopentyl-2-{5-[4-(morpholine-4-carbonyl)-piperazin-1-yl]-pyridin-2-ylamino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide
CID 58315475
[4-[[7-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 57820529
[4-[[7-[3,5-Difluoro-4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-pyridinyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 67110609

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 157101204) is 7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CCC(CC)n1c(C(=O)N(C)C)cc2cnc(Nc3ccc(CN4CCNCC4)cc3)nc21.CCC(CC)n1c(C(=O)NC2CCCC2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CN(C)C(=O)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCOCC4)cc3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AFTYXYIVSBXTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O.C25H35N7O.C25H32N6O2.C25H32N6O/c1-3-22(4-2)34-24(26(35)30-20-7-5-6-8-20)17-19-18-29-27(32-25(19)34)31-21-9-11-23(12-10-21)33-15-13-28-14-16-33;1-5-21(6-2)32-22(24(33)30(3)4)15-19-16-27-25(29-23(19)32)28-20-9-7-18(8-10-20)17-31-13-11-26-12-14-31;1-29(2)24(32)22-15-19-16-26-25(28-23(19)31(22)21-5-3-4-6-21)27-20-9-7-18(8-10-20)17-30-11-13-33-14-12-30;1-30(2)24(32)22-15-19-16-27-25(29-23(19)31(22)21-5-3-4-6-21)28-20-9-7-17(8-10-20)18-11-13-26-14-12-18/h9-12,17-18,20,22,28H,3-8,13-16H2,1-2H3,(H,30,35)(H,29,31,32);7-10,15-16,21,26H,5-6,11-14,17H2,1-4H3,(H,27,28,29);7-10,15-16,21H,3-6,11-14,17H2,1-2H3,(H,26,27,28);7-10,15-16,18,21,26H,3-6,11-14H2,1-2H3,(H,27,28,29).
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 1806.39 g/mol, XLogP of 16.54, 27 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-[4-(morpholin-4-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-cyclopentyl-N,N-dimethyl-2-(4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N-cyclopentyl-7-pentan-3-yl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide;N,N-dimethyl-7-pentan-3-yl-2-[4-(piperazin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 157101204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).