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

C23H24N6O2 — CID 71233747

IUPAC5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3cc(C)c4[nH]c(C(=O)N(C)C)cc4c3)n2)c1
InChIInChI=1S/C23H24N6O2/c1-14-9-17(11-16-12-20(27-21(14)16)22(30)29(2)3)26-23-25-8-6-18(28-23)19-10-15(13-31-4)5-7-24-19/h5-12,27H,13H2,1-4H3,(H,25,26,28)
InChIKeyHTNGIQKXIGPNIZ-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.92
Rot. Bonds6

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

5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide (PubChem CID 71233747) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
PubChem CID71233747
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3cc(C)c4[nH]c(C(=O)N(C)C)cc4c3)n2)c1
InChIInChI=1S/C23H24N6O2/c1-14-9-17(11-16-12-20(27-21(14)16)22(30)29(2)3)26-23-25-8-6-18(28-23)19-10-15(13-31-4)5-7-24-19/h5-12,27H,13H2,1-4H3,(H,25,26,28)
InChIKeyHTNGIQKXIGPNIZ-UHFFFAOYSA-N
XLogP3.92
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
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,N,7-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide (CID 71233747) is 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide is COCc1ccnc(-c2ccnc(Nc3cc(C)c4[nH]c(C(=O)N(C)C)cc4c3)n2)c1.
What is the InChIKey of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide?
The InChIKey is HTNGIQKXIGPNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-9-17(11-16-12-20(27-21(14)16)22(30)29(2)3)26-23-25-8-6-18(28-23)19-10-15(13-31-4)5-7-24-19/h5-12,27H,13H2,1-4H3,(H,25,26,28).
What are the key properties of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide?
5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 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,N,7-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71233747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).