N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide

C22H25N5O4S — CID 71584419

IUPACN-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide
SMILESCNC(=O)c1cc(-c2nc(N3CCOCC3)cc(C3(S(C)(=O)=O)CC3)n2)c2cc[nH]c2c1
InChIInChI=1S/C22H25N5O4S/c1-23-21(28)14-11-16(15-3-6-24-17(15)12-14)20-25-18(22(4-5-22)32(2,29)30)13-19(26-20)27-7-9-31-10-8-27/h3,6,11-13,24H,4-5,7-10H2,1-2H3,(H,23,28)
InChIKeyKSYBZGYFUCTFLA-UHFFFAOYSA-N
MW455.54 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide

N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide (PubChem CID 71584419) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide
PubChem CID71584419
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide
SMILESCNC(=O)c1cc(-c2nc(N3CCOCC3)cc(C3(S(C)(=O)=O)CC3)n2)c2cc[nH]c2c1
InChIInChI=1S/C22H25N5O4S/c1-23-21(28)14-11-16(15-3-6-24-17(15)12-14)20-25-18(22(4-5-22)32(2,29)30)13-19(26-20)27-7-9-31-10-8-27/h3,6,11-13,24H,4-5,7-10H2,1-2H3,(H,23,28)
InChIKeyKSYBZGYFUCTFLA-UHFFFAOYSA-N
XLogP1.85
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide (CID 71584419) is N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide is CNC(=O)c1cc(-c2nc(N3CCOCC3)cc(C3(S(C)(=O)=O)CC3)n2)c2cc[nH]c2c1.
What is the InChIKey of N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide?
The InChIKey is KSYBZGYFUCTFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-23-21(28)14-11-16(15-3-6-24-17(15)12-14)20-25-18(22(4-5-22)32(2,29)30)13-19(26-20)27-7-9-31-10-8-27/h3,6,11-13,24H,4-5,7-10H2,1-2H3,(H,23,28).
What are the key properties of N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide?
N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 71584419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).