4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid

C19H21N7O2 — CID 68841476

IUPAC4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid
SMILESCN(C)c1cnc(Nc2ccc(C(=O)O)cc2)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C19H21N7O2/c1-25(2)16-9-20-19(23-13-5-3-12(4-6-13)18(27)28)24-17(16)26-8-7-14-15(10-26)22-11-21-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,22)(H,27,28)(H,20,23,24)
InChIKeyRDAIRDNMHCBXIB-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.27
Rot. Bonds5

About 4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid

4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid (PubChem CID 68841476) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid
PubChem CID68841476
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid
SMILESCN(C)c1cnc(Nc2ccc(C(=O)O)cc2)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C19H21N7O2/c1-25(2)16-9-20-19(23-13-5-3-12(4-6-13)18(27)28)24-17(16)26-8-7-14-15(10-26)22-11-21-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,22)(H,27,28)(H,20,23,24)
InChIKeyRDAIRDNMHCBXIB-UHFFFAOYSA-N
XLogP2.27
TPSA110.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid with MolForge

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Related Compounds

[1-[4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 24785618
N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 67210638
2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine
CID 21081013
5-methoxy-N-(4-piperazin-1-ylphenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 23648870
N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 21081089
N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 21080660
8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine
CID 25060894
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylsulfonyl)benzoic acid
CID 110712843
methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate
CID 53145285
3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile
CID 176928271
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
4-[[4-(4-carboxyanilino)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]amino]benzoic acid
CID 90753530

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid (CID 68841476) is 4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid is CN(C)c1cnc(Nc2ccc(C(=O)O)cc2)nc1N1CCc2nc[nH]c2C1.
What is the InChIKey of 4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid?
The InChIKey is RDAIRDNMHCBXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-25(2)16-9-20-19(23-13-5-3-12(4-6-13)18(27)28)24-17(16)26-8-7-14-15(10-26)22-11-21-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,22)(H,27,28)(H,20,23,24).
What are the key properties of 4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid?
4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid has a molecular weight of 379.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzoic acid is sourced from PubChem (CID 68841476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).