(R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C28H35ClN8O2S — CID 170682943

IUPAC(R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC1c2ccc(Cl)cc2CC12CCN(c1cnc(C(=O)N3CCCn4nccc43)c(N)n1)CC2
InChIInChI=1S/C28H35ClN8O2S/c1-27(2,3)40(39)34-24-20-6-5-19(29)15-18(20)16-28(24)8-13-35(14-9-28)21-17-31-23(25(30)33-21)26(38)36-11-4-12-37-22(36)7-10-32-37/h5-7,10,15,17,24,34H,4,8-9,11-14,16H2,1-3H3,(H2,30,33)/t24?,40-/m1/s1
InChIKeyPLXKZMRJQSPEBF-GRVPVRTPSA-N
MW583.16 g/mol
LogP3.89
Rot. Bonds4

About (R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 170682943) has the molecular formula C28H35ClN8O2S and a molecular weight of 583.16 g/mol. Its IUPAC name is (R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID170682943
Molecular FormulaC28H35ClN8O2S
Molecular Weight583.16 g/mol
Exact Mass582.23
IUPAC Name(R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC1c2ccc(Cl)cc2CC12CCN(c1cnc(C(=O)N3CCCn4nccc43)c(N)n1)CC2
InChIInChI=1S/C28H35ClN8O2S/c1-27(2,3)40(39)34-24-20-6-5-19(29)15-18(20)16-28(24)8-13-35(14-9-28)21-17-31-23(25(30)33-21)26(38)36-11-4-12-37-22(36)7-10-32-37/h5-7,10,15,17,24,34H,4,8-9,11-14,16H2,1-3H3,(H2,30,33)/t24?,40-/m1/s1
InChIKeyPLXKZMRJQSPEBF-GRVPVRTPSA-N
XLogP3.89
TPSA122.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.16
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

[3-amino-5-[(4S)-4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]pyrazin-2-yl]-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
CID 170682899
[3-amino-5-(4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl)pyrazin-2-yl]-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
CID 170683208
methyl 6-bromo-3-[(1S)-1-(tert-butylsulfinylamino)-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 155035653
(R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170683025
(R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170683121
(R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 162501224
ethyl 3-[(3S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]prop-2-ynoate
CID 170552011
(R)-N-[(1S)-1'-[6-amino-5-[5-chloro-3-(2-hydroxy-2-methylpropyl)-4-oxoquinazolin-6-yl]sulfanylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 171837094
[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydroindol-1-yl)methanone
CID 170682894
(R)-N-[(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155774385
(R)-N-[(1S)-1'-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155774229
N-[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155038829

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 170682943) is (R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)NC1c2ccc(Cl)cc2CC12CCN(c1cnc(C(=O)N3CCCn4nccc43)c(N)n1)CC2.
What is the InChIKey of (R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is PLXKZMRJQSPEBF-GRVPVRTPSA-N. The full InChI is InChI=1S/C28H35ClN8O2S/c1-27(2,3)40(39)34-24-20-6-5-19(29)15-18(20)16-28(24)8-13-35(14-9-28)21-17-31-23(25(30)33-21)26(38)36-11-4-12-37-22(36)7-10-32-37/h5-7,10,15,17,24,34H,4,8-9,11-14,16H2,1-3H3,(H2,30,33)/t24?,40-/m1/s1.
What are the key properties of (R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 583.16 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170682943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).