5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide

C22H22N6O2 — CID 71233869

IUPAC5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(Nc3nccc(-c4cc(COC)ccn4)n3)cc(C)c2[nH]1
InChIInChI=1S/C22H22N6O2/c1-13-8-16(10-15-11-19(21(29)23-2)27-20(13)15)26-22-25-7-5-17(28-22)18-9-14(12-30-3)4-6-24-18/h4-11,27H,12H2,1-3H3,(H,23,29)(H,25,26,28)
InChIKeyXIUGWAOBRYGENK-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.58
Rot. Bonds6

About 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide

5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide (PubChem CID 71233869) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide
PubChem CID71233869
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(Nc3nccc(-c4cc(COC)ccn4)n3)cc(C)c2[nH]1
InChIInChI=1S/C22H22N6O2/c1-13-8-16(10-15-11-19(21(29)23-2)27-20(13)15)26-22-25-7-5-17(28-22)18-9-14(12-30-3)4-6-24-18/h4-11,27H,12H2,1-3H3,(H,23,29)(H,25,26,28)
InChIKeyXIUGWAOBRYGENK-UHFFFAOYSA-N
XLogP3.58
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide (CID 71233869) is 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(Nc3nccc(-c4cc(COC)ccn4)n3)cc(C)c2[nH]1.
What is the InChIKey of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide?
The InChIKey is XIUGWAOBRYGENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-13-8-16(10-15-11-19(21(29)23-2)27-20(13)15)26-22-25-7-5-17(28-22)18-9-14(12-30-3)4-6-24-18/h4-11,27H,12H2,1-3H3,(H,23,29)(H,25,26,28).
What are the key properties of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide?
5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,7-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71233869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).