(4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C23H26F3N5 — CID 146466937

IUPAC(4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C23H26F3N5/c1-15-19(16-5-2-3-6-17(16)23(24,25)26)20-28-11-14-31(20)21(29-15)30-12-9-22(10-13-30)8-4-7-18(22)27/h2-3,5-6,11,14,18H,4,7-10,12-13,27H2,1H3/t18-/m1/s1
InChIKeyCDYOWDBCOXHZRM-GOSISDBHSA-N
MW429.49 g/mol
LogP4.82
Rot. Bonds2

About (4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466937) has the molecular formula C23H26F3N5 and a molecular weight of 429.49 g/mol. Its IUPAC name is (4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID146466937
Molecular FormulaC23H26F3N5
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC Name(4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C23H26F3N5/c1-15-19(16-5-2-3-6-17(16)23(24,25)26)20-28-11-14-31(20)21(29-15)30-12-9-22(10-13-30)8-4-7-18(22)27/h2-3,5-6,11,14,18H,4,7-10,12-13,27H2,1H3/t18-/m1/s1
InChIKeyCDYOWDBCOXHZRM-GOSISDBHSA-N
XLogP4.82
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

SB-220025
CID 5164
L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
VK-19911
CID 9797240
SB-242235
CID 9863367
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
Imidazopyridine 10b
CID 5329341

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 146466937) is (4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccccc1C(F)(F)F.
What is the InChIKey of (4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is CDYOWDBCOXHZRM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26F3N5/c1-15-19(16-5-2-3-6-17(16)23(24,25)26)20-28-11-14-31(20)21(29-15)30-12-9-22(10-13-30)8-4-7-18(22)27/h2-3,5-6,11,14,18H,4,7-10,12-13,27H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 429.49 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[7-methyl-8-[2-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).