2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide

C22H27N5O4S — CID 91283835

IUPAC2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide
SMILESCCCC(C(N)=O)S(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C22H27N5O4S/c1-2-3-19(21(23)28)32(29,30)14-17-13-20(27-8-10-31-11-9-27)26-22(25-17)16-4-5-18-15(12-16)6-7-24-18/h4-7,12-13,19,24H,2-3,8-11,14H2,1H3,(H2,23,28)
InChIKeyCPFNMNOCAMTJCK-UHFFFAOYSA-N
MW457.56 g/mol
LogP2.03
Rot. Bonds8

About 2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide

2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide (PubChem CID 91283835) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide.

Molecular Properties

Compound Name2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide
PubChem CID91283835
Molecular FormulaC22H27N5O4S
Molecular Weight457.56 g/mol
Exact Mass457.18
IUPAC Name2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide
SMILESCCCC(C(N)=O)S(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C22H27N5O4S/c1-2-3-19(21(23)28)32(29,30)14-17-13-20(27-8-10-31-11-9-27)26-22(25-17)16-4-5-18-15(12-16)6-7-24-18/h4-7,12-13,19,24H,2-3,8-11,14H2,1H3,(H2,23,28)
InChIKeyCPFNMNOCAMTJCK-UHFFFAOYSA-N
XLogP2.03
TPSA131.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonylmethyl]phenyl]acetamide
CID 58137168
4-[2-(1H-indol-5-yl)-6-(morpholin-4-ylmethyl)pyrimidin-4-yl]morpholine
CID 58137143
4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 58137106
1-cyclobutyl-3-[4-[4-morpholin-4-yl-6-(propan-2-ylsulfonylmethyl)pyrimidin-2-yl]phenyl]urea
CID 143633200
2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
CID 25168049
1-[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-2,3-dihydroindol-1-yl]ethanone
CID 141179429
N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]butane-1-sulfonamide
CID 24803955
1-[4-[4-[[dihydroxy(methyl)-λ4-sulfanyl]methyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 59379875
[2-[4-(ethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]methyl-propan-2-ylsulfanium
CID 143633058
4-[6-(benzenesulfonylmethyl)-2-(1-methylindol-5-yl)pyrimidin-4-yl]morpholine
CID 58137164
ethane;4-[4-(ethylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143633077
4-[6-chloro-2-(1H-indol-5-yl)-5-methylsulfanylpyrimidin-4-yl]morpholine
CID 87344835

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide?
The IUPAC name of 2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide (CID 91283835) is 2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide.
What is the SMILES notation for 2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide?
The canonical SMILES for 2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide is CCCC(C(N)=O)S(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide?
The InChIKey is CPFNMNOCAMTJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-2-3-19(21(23)28)32(29,30)14-17-13-20(27-8-10-31-11-9-27)26-22(25-17)16-4-5-18-15(12-16)6-7-24-18/h4-7,12-13,19,24H,2-3,8-11,14H2,1H3,(H2,23,28).
What are the key properties of 2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide?
2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide has a molecular weight of 457.56 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-indol-5-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylsulfonyl]pentanamide is sourced from PubChem (CID 91283835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).