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

C21H23N5O4S — CID 71584420

IUPAC4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide
SMILESCS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cc(C(N)=O)cc4[nH]ccc34)n2)CC1
InChIInChI=1S/C21H23N5O4S/c1-31(28,29)21(3-4-21)17-12-18(26-6-8-30-9-7-26)25-20(24-17)15-10-13(19(22)27)11-16-14(15)2-5-23-16/h2,5,10-12,23H,3-4,6-9H2,1H3,(H2,22,27)
InChIKeyRLKCEGYBQOBTKG-UHFFFAOYSA-N
MW441.51 g/mol
LogP1.59
Rot. Bonds5

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

4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide (PubChem CID 71584420) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is 4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide
PubChem CID71584420
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide
SMILESCS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cc(C(N)=O)cc4[nH]ccc34)n2)CC1
InChIInChI=1S/C21H23N5O4S/c1-31(28,29)21(3-4-21)17-12-18(26-6-8-30-9-7-26)25-20(24-17)15-10-13(19(22)27)11-16-14(15)2-5-23-16/h2,5,10-12,23H,3-4,6-9H2,1H3,(H2,22,27)
InChIKeyRLKCEGYBQOBTKG-UHFFFAOYSA-N
XLogP1.59
TPSA131.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(1H-indol-4-yl)-6-(1-methylsulfinylcyclopropyl)pyrimidin-4-yl]morpholine
CID 142469063
4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 58137106
4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide
CID 25098500
imino-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxan-4-yl]-methyl-oxo-λ6-sulfane
CID 54762020
4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide
CID 68703986
4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide
CID 24938263
4-[2-(1H-indol-4-yl)-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
CID 75184871
4-[2-chloro-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
CID 174644321
N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 25097953
1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile
CID 25098228
imino-methyl-[1-[6-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 119081226
4-(6-fluoro-1H-indol-4-yl)-6-(1-methylsulfonylcyclobutyl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 123850788

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide?
The IUPAC name of 4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide (CID 71584420) is 4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for 4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide?
The canonical SMILES for 4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide is CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cc(C(N)=O)cc4[nH]ccc34)n2)CC1.
What is the InChIKey of 4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide?
The InChIKey is RLKCEGYBQOBTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-31(28,29)21(3-4-21)17-12-18(26-6-8-30-9-7-26)25-20(24-17)15-10-13(19(22)27)11-16-14(15)2-5-23-16/h2,5,10-12,23H,3-4,6-9H2,1H3,(H2,22,27).
What are the key properties of 4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide?
4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 71584420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).