methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate

C23H23N7O3 — CID 121276017

IUPACmethyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2cc(-c3ccc4ncn(C)c4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H23N7O3/c1-29-14-25-17-5-3-15(11-20(17)29)19-12-21(28-23(27-19)30-7-9-33-10-8-30)26-16-4-6-18(24-13-16)22(31)32-2/h3-6,11-14H,7-10H2,1-2H3,(H,26,27,28)
InChIKeyQNMSGWGKZPNRIQ-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.79
Rot. Bonds5

About methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate

methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate (PubChem CID 121276017) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
PubChem CID121276017
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Namemethyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2cc(-c3ccc4ncn(C)c4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H23N7O3/c1-29-14-25-17-5-3-15(11-20(17)29)19-12-21(28-23(27-19)30-7-9-33-10-8-30)26-16-4-6-18(24-13-16)22(31)32-2/h3-6,11-14H,7-10H2,1-2H3,(H,26,27,28)
InChIKeyQNMSGWGKZPNRIQ-UHFFFAOYSA-N
XLogP2.79
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate 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

methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
CID 121275971
methyl 4-[[6-[3-(2-methoxyethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121272534
methyl 4-[[6-[3-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 138656789
methyl 4-[[6-(1-methylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276049
5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide
CID 121272476
4-[[2-morpholin-4-yl-6-[3-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]pyrimidin-4-yl]amino]benzoic acid
CID 121275994
4-[[6-[3-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylbenzamide
CID 121272490
methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276037
6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507565
N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 121272441
N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
CID 121275797
1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 159215910

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate (CID 121276017) is methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(Nc2cc(-c3ccc4ncn(C)c4c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate?
The InChIKey is QNMSGWGKZPNRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-29-14-25-17-5-3-15(11-20(17)29)19-12-21(28-23(27-19)30-7-9-33-10-8-30)26-16-4-6-18(24-13-16)22(31)32-2/h3-6,11-14H,7-10H2,1-2H3,(H,26,27,28).
What are the key properties of methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate?
methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate has a molecular weight of 445.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 121276017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).