2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile

C22H19N5OS — CID 129309309

IUPAC2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile
SMILESCC[S@@](=O)c1ccc2c(c1)N(c1ncc(-c3cc(C#N)ccn3)cn1)CC21CC1
InChIInChI=1S/C22H19N5OS/c1-2-29(28)17-3-4-18-20(10-17)27(14-22(18)6-7-22)21-25-12-16(13-26-21)19-9-15(11-23)5-8-24-19/h3-5,8-10,12-13H,2,6-7,14H2,1H3/t29-/m1/s1
InChIKeyMQIFBWFYKJIXKU-GDLZYMKVSA-N
MW401.50 g/mol
LogP3.72
Rot. Bonds4

About 2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile

2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile (PubChem CID 129309309) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is 2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile
PubChem CID129309309
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC Name2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile
SMILESCC[S@@](=O)c1ccc2c(c1)N(c1ncc(-c3cc(C#N)ccn3)cn1)CC21CC1
InChIInChI=1S/C22H19N5OS/c1-2-29(28)17-3-4-18-20(10-17)27(14-22(18)6-7-22)21-25-12-16(13-26-21)19-9-15(11-23)5-8-24-19/h3-5,8-10,12-13H,2,6-7,14H2,1H3/t29-/m1/s1
InChIKeyMQIFBWFYKJIXKU-GDLZYMKVSA-N
XLogP3.72
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-ethyl-2-pyridinyl)pyrimidin-2-yl]-6-methylsulfinylspiro[2H-indole-3,1'-cyclopropane]
CID 129309271
2-[2-[2-[6-[(S)-3-hydroxypropylsulfinyl]spiro[2H-indole-3,3'-oxetane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]propan-2-ol
CID 129295522
1-[5-(4-cyclopropyl-2-pyridinyl)pyrimidin-2-yl]-6-ethylsulfanylspiro[2H-indole-3,1'-cyclopropane]
CID 129309218
1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
CID 118659927
2-[3-[2-(6-ethylsulfinylspiro[2H-indole-3,3'-oxetane]-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol
CID 129282330
2-[2-[2-(6-dimethylphosphorylspiro[2H-indole-3,1'-cyclopropane]-1-yl)pyrimidin-5-yl]-4-pyridinyl]propan-2-ol
CID 129309332
[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone
CID 118659756
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
1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carboxylic acid
CID 129282383
N-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
CID 118660029
2-[2-[2-[6-(morpholine-4-carbonyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]-4-pyridinyl]acetamide
CID 175044125

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile (CID 129309309) is 2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile is CC[S@@](=O)c1ccc2c(c1)N(c1ncc(-c3cc(C#N)ccn3)cn1)CC21CC1.
What is the InChIKey of 2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile?
The InChIKey is MQIFBWFYKJIXKU-GDLZYMKVSA-N. The full InChI is InChI=1S/C22H19N5OS/c1-2-29(28)17-3-4-18-20(10-17)27(14-22(18)6-7-22)21-25-12-16(13-26-21)19-9-15(11-23)5-8-24-19/h3-5,8-10,12-13H,2,6-7,14H2,1H3/t29-/m1/s1.
What are the key properties of 2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile?
2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile has a molecular weight of 401.50 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[(R)-ethylsulfinyl]spiro[2H-indole-3,1'-cyclopropane]-1-yl]pyrimidin-5-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 129309309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).