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

C22H22N6O2 — CID 71233738

IUPAC5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C)cc4c3)n2)c1
InChIInChI=1S/C22H22N6O2/c1-28(2)21(29)20-12-15-11-16(4-5-17(15)26-20)25-22-24-9-7-18(27-22)19-10-14(13-30-3)6-8-23-19/h4-12,26H,13H2,1-3H3,(H,24,25,27)
InChIKeyKALDKULRYBAWNI-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.61
Rot. Bonds6

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

5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 71233738) 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,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID71233738
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C)cc4c3)n2)c1
InChIInChI=1S/C22H22N6O2/c1-28(2)21(29)20-12-15-11-16(4-5-17(15)26-20)25-22-24-9-7-18(27-22)19-10-14(13-30-3)6-8-23-19/h4-12,26H,13H2,1-3H3,(H,24,25,27)
InChIKeyKALDKULRYBAWNI-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

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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-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide (CID 71233738) is 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide is COCc1ccnc(-c2ccnc(Nc3ccc4[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-dimethyl-1H-indole-2-carboxamide?
The InChIKey is KALDKULRYBAWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-28(2)21(29)20-12-15-11-16(4-5-17(15)26-20)25-22-24-9-7-18(27-22)19-10-14(13-30-3)6-8-23-19/h4-12,26H,13H2,1-3H3,(H,24,25,27).
What are the key properties of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide?
5-[[4-[4-(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-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71233738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).