N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide

C25H27N5O5S — CID 137367850

IUPACN-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide
SMILESCN(CCO)C(=O)c1ccc2c(c1)c(-c1ncc(-c3cc(C(C)(C)O)ccn3)cn1)cn2S(C)(=O)=O
InChIInChI=1S/C25H27N5O5S/c1-25(2,33)18-7-8-26-21(12-18)17-13-27-23(28-14-17)20-15-30(36(4,34)35)22-6-5-16(11-19(20)22)24(32)29(3)9-10-31/h5-8,11-15,31,33H,9-10H2,1-4H3
InChIKeyANIWAYMFSFOEKW-UHFFFAOYSA-N
MW509.59 g/mol
LogP2.26
Rot. Bonds7

About N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide

N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide (PubChem CID 137367850) has the molecular formula C25H27N5O5S and a molecular weight of 509.59 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide
PubChem CID137367850
Molecular FormulaC25H27N5O5S
Molecular Weight509.59 g/mol
Exact Mass509.17
IUPAC NameN-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide
SMILESCN(CCO)C(=O)c1ccc2c(c1)c(-c1ncc(-c3cc(C(C)(C)O)ccn3)cn1)cn2S(C)(=O)=O
InChIInChI=1S/C25H27N5O5S/c1-25(2,33)18-7-8-26-21(12-18)17-13-27-23(28-14-17)20-15-30(36(4,34)35)22-6-5-16(11-19(20)22)24(32)29(3)9-10-31/h5-8,11-15,31,33H,9-10H2,1-4H3
InChIKeyANIWAYMFSFOEKW-UHFFFAOYSA-N
XLogP2.26
TPSA138.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.59
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-[5-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methyl-1-methylsulfonylindole-5-carboxamide
CID 142501754
N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide
CID 137367814
[3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367847
[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367091
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282474
N-(2-hydroxyethyl)-N-methyl-6-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[5,8-dihydrobenzo[7]annulene-9,1'-cyclopropane]-3-carboxamide
CID 139420278
N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 60740284
N-(2-methoxyethyl)-N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 119075124
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-methylsulfinyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118660073
2-hydroxy-N-[[1-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]-N-methylacetamide
CID 129309244
N-(2-hydroxyethyl)-N-methyl-1-[5-(4-pyrrolidin-1-yl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659985
N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486259

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide (CID 137367850) is N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide is CN(CCO)C(=O)c1ccc2c(c1)c(-c1ncc(-c3cc(C(C)(C)O)ccn3)cn1)cn2S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide?
The InChIKey is ANIWAYMFSFOEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5S/c1-25(2,33)18-7-8-26-21(12-18)17-13-27-23(28-14-17)20-15-30(36(4,34)35)22-6-5-16(11-19(20)22)24(32)29(3)9-10-31/h5-8,11-15,31,33H,9-10H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide?
N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide has a molecular weight of 509.59 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[5-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrimidin-2-yl]-N-methyl-1-methylsulfonylindole-5-carboxamide is sourced from PubChem (CID 137367850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).