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

C26H28N6O3 — CID 71233757

IUPAC5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C5CCOCC5)cc4c3)n2)c1
InChIInChI=1S/C26H28N6O3/c1-32(20-7-11-35-12-8-20)25(33)24-15-18-14-19(3-4-21(18)30-24)29-26-28-10-6-22(31-26)23-13-17(16-34-2)5-9-27-23/h3-6,9-10,13-15,20,30H,7-8,11-12,16H2,1-2H3,(H,28,29,31)
InChIKeyRDWLSDNVJFWOEA-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.16
Rot. Bonds7

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

5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide (PubChem CID 71233757) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
PubChem CID71233757
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C5CCOCC5)cc4c3)n2)c1
InChIInChI=1S/C26H28N6O3/c1-32(20-7-11-35-12-8-20)25(33)24-15-18-14-19(3-4-21(18)30-24)29-26-28-10-6-22(31-26)23-13-17(16-34-2)5-9-27-23/h3-6,9-10,13-15,20,30H,7-8,11-12,16H2,1-2H3,(H,28,29,31)
InChIKeyRDWLSDNVJFWOEA-UHFFFAOYSA-N
XLogP4.16
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide (CID 71233757) is 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide is COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N(C)C5CCOCC5)cc4c3)n2)c1.
What is the InChIKey of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The InChIKey is RDWLSDNVJFWOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-32(20-7-11-35-12-8-20)25(33)24-15-18-14-19(3-4-21(18)30-24)29-26-28-10-6-22(31-26)23-13-17(16-34-2)5-9-27-23/h3-6,9-10,13-15,20,30H,7-8,11-12,16H2,1-2H3,(H,28,29,31).
What are the key properties of 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide?
5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 71233757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).