5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide

C22H22N6O2 — CID 71235919

IUPAC5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCOCc1ccc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C)cc4c3)n2)nc1
InChIInChI=1S/C22H22N6O2/c1-28(2)21(29)20-11-15-10-16(5-7-17(15)26-20)25-22-23-9-8-19(27-22)18-6-4-14(12-24-18)13-30-3/h4-12,26H,13H2,1-3H3,(H,23,25,27)
InChIKeyZIWHRLLBZZQEJB-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.61
Rot. Bonds6

About 5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide

5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 71235919) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID71235919
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCOCc1ccc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C)cc4c3)n2)nc1
InChIInChI=1S/C22H22N6O2/c1-28(2)21(29)20-11-15-10-16(5-7-17(15)26-20)25-22-23-9-8-19(27-22)18-6-4-14(12-24-18)13-30-3/h4-12,26H,13H2,1-3H3,(H,23,25,27)
InChIKeyZIWHRLLBZZQEJB-UHFFFAOYSA-N
XLogP3.61
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide (CID 71235919) is 5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide is COCc1ccc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C)cc4c3)n2)nc1.
What is the InChIKey of 5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is ZIWHRLLBZZQEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-28(2)21(29)20-11-15-10-16(5-7-17(15)26-20)25-22-23-9-8-19(27-22)18-6-4-14(12-24-18)13-30-3/h4-12,26H,13H2,1-3H3,(H,23,25,27).
What are the key properties of 5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71235919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).