(3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C21H27N7OS — CID 138689134

IUPAC(3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1cc(Sc2cnc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)n3ccnc23)cc(N)n1
InChIInChI=1S/C21H27N7OS/c1-13-9-15(10-17(22)26-13)30-16-11-25-20(28-8-5-24-19(16)28)27-6-3-21(4-7-27)12-29-14(2)18(21)23/h5,8-11,14,18H,3-4,6-7,12,23H2,1-2H3,(H2,22,26)/t14-,18+/m0/s1
InChIKeyPFDDZDGNIBXWJW-KBXCAEBGSA-N
MW425.56 g/mol
LogP2.50
Rot. Bonds3

About (3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 138689134) has the molecular formula C21H27N7OS and a molecular weight of 425.56 g/mol. Its IUPAC name is (3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID138689134
Molecular FormulaC21H27N7OS
Molecular Weight425.56 g/mol
Exact Mass425.20
IUPAC Name(3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1cc(Sc2cnc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)n3ccnc23)cc(N)n1
InChIInChI=1S/C21H27N7OS/c1-13-9-15(10-17(22)26-13)30-16-11-25-20(28-8-5-24-19(16)28)27-6-3-21(4-7-27)12-29-14(2)18(21)23/h5,8-11,14,18H,3-4,6-7,12,23H2,1-2H3,(H2,22,26)/t14-,18+/m0/s1
InChIKeyPFDDZDGNIBXWJW-KBXCAEBGSA-N
XLogP2.50
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine 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

1-((2-(imidazo[1,2-a]pyridin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
CID 49833295
(3S,4S)-8-[5-[[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-4-pyridinyl]sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 168286666
(4R)-8-[8-[2-(trifluoromethyl)pyridin-3-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427654
(4S)-8-[3-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 142484926
US11179397, Example 38
CID 146466891
US11179397, Example 51
CID 146466920
US11179397, Example 115
CID 146466942
US11179397, Example 116
CID 146466945
US11179397, Example 122
CID 146466948
US11179397, Example 37
CID 146466955
US11179397, Example 17
CID 146466996
US11179397, Example 39
CID 146535848

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 138689134) is (3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is Cc1cc(Sc2cnc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)n3ccnc23)cc(N)n1.
What is the InChIKey of (3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is PFDDZDGNIBXWJW-KBXCAEBGSA-N. The full InChI is InChI=1S/C21H27N7OS/c1-13-9-15(10-17(22)26-13)30-16-11-25-20(28-8-5-24-19(16)28)27-6-3-21(4-7-27)12-29-14(2)18(21)23/h5,8-11,14,18H,3-4,6-7,12,23H2,1-2H3,(H2,22,26)/t14-,18+/m0/s1.
What are the key properties of (3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 425.56 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[8-[(2-amino-6-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 138689134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).