(R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

C25H32F3N7OS2 — CID 146535876

IUPAC(R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cc(N)ncc3C(F)(F)F)c3nccn13)CC2
InChIInChI=1S/C25H32F3N7OS2/c1-23(2,3)38(36)33-19-5-4-6-24(19)7-10-34(11-8-24)22-32-15-18(21-30-9-12-35(21)22)37-17-13-20(29)31-14-16(17)25(26,27)28/h9,12-15,19,33H,4-8,10-11H2,1-3H3,(H2,29,31)/t19-,38-/m1/s1
InChIKeyCMKZUMVJTPLISU-KMHLYIPBSA-N
MW567.71 g/mol
LogP5.07
Rot. Bonds5

About (R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 146535876) has the molecular formula C25H32F3N7OS2 and a molecular weight of 567.71 g/mol. Its IUPAC name is (R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID146535876
Molecular FormulaC25H32F3N7OS2
Molecular Weight567.71 g/mol
Exact Mass567.21
IUPAC Name(R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cc(N)ncc3C(F)(F)F)c3nccn13)CC2
InChIInChI=1S/C25H32F3N7OS2/c1-23(2,3)38(36)33-19-5-4-6-24(19)7-10-34(11-8-24)22-32-15-18(21-30-9-12-35(21)22)37-17-13-20(29)31-14-16(17)25(26,27)28/h9,12-15,19,33H,4-8,10-11H2,1-3H3,(H2,29,31)/t19-,38-/m1/s1
InChIKeyCMKZUMVJTPLISU-KMHLYIPBSA-N
XLogP5.07
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide with MolForge

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Launch Full Analysis

Related Compounds

3-{[3-(trifluoromethyl)phenyl]sulfonyl}-1-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 44435635
3-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 44435637
imino-methyl-oxo-[[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-lambda6-sulfane
CID 139365207
(4R)-8-[8-[2-(trifluoromethyl)pyridin-3-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427654
(4R)-8-[8-[3-(trifluoromethyl)pyridin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427701
(R)-8-(8-((3-chloro-2-fluoropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427716
(4R)-8-[8-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427830
US11179397, Example 53
CID 146466864
US11179397, Example 38
CID 146466891
US11179397, Example 51
CID 146466920
US11179397, Example 17
CID 146466996
(4R)-8-[8-(6-amino-2,3-dichloropyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334931

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (CID 146535876) is (R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1ncc(Sc3cc(N)ncc3C(F)(F)F)c3nccn13)CC2.
What is the InChIKey of (R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is CMKZUMVJTPLISU-KMHLYIPBSA-N. The full InChI is InChI=1S/C25H32F3N7OS2/c1-23(2,3)38(36)33-19-5-4-6-24(19)7-10-34(11-8-24)22-32-15-18(21-30-9-12-35(21)22)37-17-13-20(29)31-14-16(17)25(26,27)28/h9,12-15,19,33H,4-8,10-11H2,1-3H3,(H2,29,31)/t19-,38-/m1/s1.
What are the key properties of (R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 567.71 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146535876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).