7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C23H30N6O3 — CID 175959120

IUPAC7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)Cc1ccc(-n2c(C(=O)N(C)C)cc3cnc(N[C@@H]4CCOC[C@H]4O)nc32)cc1
InChIInChI=1S/C23H30N6O3/c1-27(2)13-15-5-7-17(8-6-15)29-19(22(31)28(3)4)11-16-12-24-23(26-21(16)29)25-18-9-10-32-14-20(18)30/h5-8,11-12,18,20,30H,9-10,13-14H2,1-4H3,(H,24,25,26)/t18-,20-/m1/s1
InChIKeyHUCQBQVRVPPSAL-UYAOXDASSA-N
MW438.53 g/mol
LogP1.75
Rot. Bonds6

About 7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 175959120) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID175959120
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)Cc1ccc(-n2c(C(=O)N(C)C)cc3cnc(N[C@@H]4CCOC[C@H]4O)nc32)cc1
InChIInChI=1S/C23H30N6O3/c1-27(2)13-15-5-7-17(8-6-15)29-19(22(31)28(3)4)11-16-12-24-23(26-21(16)29)25-18-9-10-32-14-20(18)30/h5-8,11-12,18,20,30H,9-10,13-14H2,1-4H3,(H,24,25,26)/t18-,20-/m1/s1
InChIKeyHUCQBQVRVPPSAL-UYAOXDASSA-N
XLogP1.75
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]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

2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 169117148
7-[5-fluoro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]pyrimidin-4-yl]-N,N-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
CID 176732869
(2,4-dimethylphenyl)-[7-(4-fluorophenyl)-2-(oxan-4-ylamino)pyrrolo[2,3-d]pyrimidin-6-yl]methanone
CID 24989971
2-(4-acetamidoanilino)-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155437
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
6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 155210544
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
4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418
7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425
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-(3-hydroxypropyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818580
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

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 175959120) is 7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)Cc1ccc(-n2c(C(=O)N(C)C)cc3cnc(N[C@@H]4CCOC[C@H]4O)nc32)cc1.
What is the InChIKey of 7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HUCQBQVRVPPSAL-UYAOXDASSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-27(2)13-15-5-7-17(8-6-15)29-19(22(31)28(3)4)11-16-12-24-23(26-21(16)29)25-18-9-10-32-14-20(18)30/h5-8,11-12,18,20,30H,9-10,13-14H2,1-4H3,(H,24,25,26)/t18-,20-/m1/s1.
What are the key properties of 7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(dimethylamino)methyl]phenyl]-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 175959120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).