methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate

C26H27N7O3 — CID 121275971

IUPACmethyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2cc(-c3ccc4c(c3)ncn4CC3CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C26H27N7O3/c1-35-25(34)20-6-5-19(14-27-20)29-24-13-21(30-26(31-24)32-8-10-36-11-9-32)18-4-7-23-22(12-18)28-16-33(23)15-17-2-3-17/h4-7,12-14,16-17H,2-3,8-11,15H2,1H3,(H,29,30,31)
InChIKeyPFDQIDDMHFRIRH-UHFFFAOYSA-N
MW485.55 g/mol
LogP3.67
Rot. Bonds7

About methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate

methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate (PubChem CID 121275971) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
PubChem CID121275971
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Namemethyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2cc(-c3ccc4c(c3)ncn4CC3CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C26H27N7O3/c1-35-25(34)20-6-5-19(14-27-20)29-24-13-21(30-26(31-24)32-8-10-36-11-9-32)18-4-7-23-22(12-18)28-16-33(23)15-17-2-3-17/h4-7,12-14,16-17H,2-3,8-11,15H2,1H3,(H,29,30,31)
InChIKeyPFDQIDDMHFRIRH-UHFFFAOYSA-N
XLogP3.67
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylpyridine-2-carboxamide
CID 121272476
methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
CID 121276017
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-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276037
methyl 4-[[6-(1-methylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276049
6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507565
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
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507868
4-[[6-[3-(cyclobutylamino)-4-methanimidoylphenyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoic acid
CID 145062296
6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507485

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate (CID 121275971) is methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(Nc2cc(-c3ccc4c(c3)ncn4CC3CC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate?
The InChIKey is PFDQIDDMHFRIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-35-25(34)20-6-5-19(14-27-20)29-24-13-21(30-26(31-24)32-8-10-36-11-9-32)18-4-7-23-22(12-18)28-16-33(23)15-17-2-3-17/h4-7,12-14,16-17H,2-3,8-11,15H2,1H3,(H,29,30,31).
What are the key properties of methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate?
methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate has a molecular weight of 485.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 121275971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).