(1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C27H33N7S — CID 167038841

IUPAC(1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=N/C(N)=C(C)\C(=C/C)Sc1c(C)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12
InChIInChI=1S/C27H33N7S/c1-5-21(17(2)24(29)30-4)35-22-18(3)32-26(34-15-12-31-25(22)34)33-13-10-27(11-14-33)16-19-8-6-7-9-20(19)23(27)28/h5-9,12,15,23H,4,10-11,13-14,16,28-29H2,1-3H3/b21-5+,24-17-/t23-/m1/s1
InChIKeyPFJCOGRJDGXIKX-NKIKZWDZSA-N
MW487.68 g/mol
LogP4.77
Rot. Bonds5

About (1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 167038841) has the molecular formula C27H33N7S and a molecular weight of 487.68 g/mol. Its IUPAC name is (1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID167038841
Molecular FormulaC27H33N7S
Molecular Weight487.68 g/mol
Exact Mass487.25
IUPAC Name(1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=N/C(N)=C(C)\C(=C/C)Sc1c(C)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12
InChIInChI=1S/C27H33N7S/c1-5-21(17(2)24(29)30-4)35-22-18(3)32-26(34-15-12-31-25(22)34)33-13-10-27(11-14-33)16-19-8-6-7-9-20(19)23(27)28/h5-9,12,15,23H,4,10-11,13-14,16,28-29H2,1-3H3/b21-5+,24-17-/t23-/m1/s1
InChIKeyPFJCOGRJDGXIKX-NKIKZWDZSA-N
XLogP4.77
TPSA97.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.68
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Related Compounds

(1S)-1'-(8-iodo-7-methylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 174291820
(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[[3-chloro-2-(cyclopropylmethyl)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 165084723
[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-7-yl]methanol
CID 147261923
(1S)-1'-[8-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-methyl-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 165063040
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146466979
1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 164743863
(1S)-1'-[12-(1-phenylethenyl)-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,7,9,11-tetraen-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 166823278
(1S)-1'-[12-(4-chloro-2-methylindazol-5-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 162728652
[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
CID 155774215
(2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 164743746
(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 164743590
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 167038841) is (1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C=N/C(N)=C(C)\C(=C/C)Sc1c(C)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc12.
What is the InChIKey of (1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is PFJCOGRJDGXIKX-NKIKZWDZSA-N. The full InChI is InChI=1S/C27H33N7S/c1-5-21(17(2)24(29)30-4)35-22-18(3)32-26(34-15-12-31-25(22)34)33-13-10-27(11-14-33)16-19-8-6-7-9-20(19)23(27)28/h5-9,12,15,23H,4,10-11,13-14,16,28-29H2,1-3H3/b21-5+,24-17-/t23-/m1/s1.
What are the key properties of (1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 487.68 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[8-[(1Z,3E)-1-amino-2-methyl-1-(methylideneamino)penta-1,3-dien-3-yl]sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 167038841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).