2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine

C24H29FN10 — CID 25060649

IUPAC2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine
SMILESCN1CCC(N(C)c2ccc(Nc3nc(N4CCc5nc[nH]c5C4)c4[nH]cnc4n3)cc2F)CC1
InChIInChI=1S/C24H29FN10/c1-33-8-5-16(6-9-33)34(2)20-4-3-15(11-17(20)25)30-24-31-22-21(28-14-29-22)23(32-24)35-10-7-18-19(12-35)27-13-26-18/h3-4,11,13-14,16H,5-10,12H2,1-2H3,(H,26,27)(H2,28,29,30,31,32)
InChIKeyYSPOZGGYJXKODK-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.05
Rot. Bonds5

About 2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine

2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine (PubChem CID 25060649) has the molecular formula C24H29FN10 and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine
PubChem CID25060649
Molecular FormulaC24H29FN10
Molecular Weight476.56 g/mol
Exact Mass476.26
IUPAC Name2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine
SMILESCN1CCC(N(C)c2ccc(Nc3nc(N4CCc5nc[nH]c5C4)c4[nH]cnc4n3)cc2F)CC1
InChIInChI=1S/C24H29FN10/c1-33-8-5-16(6-9-33)34(2)20-4-3-15(11-17(20)25)30-24-31-22-21(28-14-29-22)23(32-24)35-10-7-18-19(12-35)27-13-26-18/h3-4,11,13-14,16H,5-10,12H2,1-2H3,(H,26,27)(H2,28,29,30,31,32)
InChIKeyYSPOZGGYJXKODK-UHFFFAOYSA-N
XLogP3.05
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine 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

Reversine
CID 210332
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Ruserontinib
CID 54760385
N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
CID 54759842
9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine
CID 54760383
9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine
CID 54761307
7H-Adenine, N-(p-fluorophenyl)-
CID 51998
N-purin-6-ylaniline
CID 71029
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 664284
N*6*-Cyclohexyl-N*2*-phenyl-9H-purine-2,6-diamine
CID 11243768
N*6*-Cyclooctyl-N*2*-phenyl-9H-purine-2,6-diamine
CID 11484484
1-(1-Benzylpiperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973425

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine (CID 25060649) is 2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine is CN1CCC(N(C)c2ccc(Nc3nc(N4CCc5nc[nH]c5C4)c4[nH]cnc4n3)cc2F)CC1.
What is the InChIKey of 2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine?
The InChIKey is YSPOZGGYJXKODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN10/c1-33-8-5-16(6-9-33)34(2)20-4-3-15(11-17(20)25)30-24-31-22-21(28-14-29-22)23(32-24)35-10-7-18-19(12-35)27-13-26-18/h3-4,11,13-14,16H,5-10,12H2,1-2H3,(H,26,27)(H2,28,29,30,31,32).
What are the key properties of 2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine?
2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine has a molecular weight of 476.56 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-4-N-[6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 25060649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).