N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C33H38Cl2N8O2 — CID 171342552

IUPACN-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1cc2c(N(C)C)nc(NCCc3c[nH]c4ccccc34)nc2n1CCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C33H38Cl2N8O2/c1-20(2)43(19-29(36)44)32(45)28-17-25-30(41(3)4)39-33(37-14-13-22-18-38-27-10-6-5-9-24(22)27)40-31(25)42(28)15-7-8-21-11-12-23(34)16-26(21)35/h5-6,9-12,16-18,20,38H,7-8,13-15,19H2,1-4H3,(H2,36,44)(H,37,39,40)
InChIKeyDGYXXVVLRDGURB-UHFFFAOYSA-N
MW649.63 g/mol
LogP5.91
Rot. Bonds13

About N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide

N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 171342552) has the molecular formula C33H38Cl2N8O2 and a molecular weight of 649.63 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID171342552
Molecular FormulaC33H38Cl2N8O2
Molecular Weight649.63 g/mol
Exact Mass648.25
IUPAC NameN-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1cc2c(N(C)C)nc(NCCc3c[nH]c4ccccc34)nc2n1CCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C33H38Cl2N8O2/c1-20(2)43(19-29(36)44)32(45)28-17-25-30(41(3)4)39-33(37-14-13-22-18-38-27-10-6-5-9-24(22)27)40-31(25)42(28)15-7-8-21-11-12-23(34)16-26(21)35/h5-6,9-12,16-18,20,38H,7-8,13-15,19H2,1-4H3,(H2,36,44)(H,37,39,40)
InChIKeyDGYXXVVLRDGURB-UHFFFAOYSA-N
XLogP5.91
TPSA125.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.63
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[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

Thz531
CID 118025540
Mevociclib
CID 118426108
N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine
CID 24969086
2-(6-chloro-1-methylindol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288693
1-(5-chloro-2-ethylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 72737634
1-(5-chloro-2-methylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 73056517
1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 73057443
[(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 164885926
NNMT inhibitor 14 [PMID: 35904556]
CID 164946746
Ac-His-DPhe(pCl)-Arg-Trp-NH2
CID 25108215
2-[[1-(2-chlorophenyl)indol-6-yl]carbamoylamino]-N-[3-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino]propyl]acetamide
CID 137646229
N-ethyl-4-(2-phenylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137656009

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 171342552) is N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CC(C)N(CC(N)=O)C(=O)c1cc2c(N(C)C)nc(NCCc3c[nH]c4ccccc34)nc2n1CCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DGYXXVVLRDGURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38Cl2N8O2/c1-20(2)43(19-29(36)44)32(45)28-17-25-30(41(3)4)39-33(37-14-13-22-18-38-27-10-6-5-9-24(22)27)40-31(25)42(28)15-7-8-21-11-12-23(34)16-26(21)35/h5-6,9-12,16-18,20,38H,7-8,13-15,19H2,1-4H3,(H2,36,44)(H,37,39,40).
What are the key properties of N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 649.63 g/mol, XLogP of 5.91, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-7-[3-(2,4-dichlorophenyl)propyl]-4-(dimethylamino)-2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 171342552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).