(4R)-8-[7-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C23H26F3N5 — CID 146466986

IUPAC(4R)-8-[7-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H26F3N5/c1-15-19(16-4-2-5-17(14-16)23(24,25)26)20-28-10-13-31(20)21(29-15)30-11-8-22(9-12-30)7-3-6-18(22)27/h2,4-5,10,13-14,18H,3,6-9,11-12,27H2,1H3/t18-/m1/s1
InChIKeyUKYGOPXRUNLEQR-GOSISDBHSA-N
MW429.49 g/mol
LogP4.82
Rot. Bonds2

About (4R)-8-[7-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[7-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466986) has the molecular formula C23H26F3N5 and a molecular weight of 429.49 g/mol. Its IUPAC name is (4R)-8-[7-methyl-8-[3-(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-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID146466986
Molecular FormulaC23H26F3N5
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC Name(4R)-8-[7-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H26F3N5/c1-15-19(16-4-2-5-17(14-16)23(24,25)26)20-28-10-13-31(20)21(29-15)30-11-8-22(9-12-30)7-3-6-18(22)27/h2,4-5,10,13-14,18H,3,6-9,11-12,27H2,1H3/t18-/m1/s1
InChIKeyUKYGOPXRUNLEQR-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

CID 5164
CID 5164
CID 9806182
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CID 447721
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CID 9797240
CID 9797240
CID 9863367
CID 9863367
CID 10133248
CID 10133248
CID 135233366
CID 135233366
CID 137701509
CID 137701509
CID 10249182
CID 10249182
CID 15953860
CID 15953860
CID 44422489
CID 44422489
CID 46216378
CID 46216378

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[7-methyl-8-[3-(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-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 146466986) is (4R)-8-[7-methyl-8-[3-(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-[3-(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-[3-(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-c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4R)-8-[7-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is UKYGOPXRUNLEQR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26F3N5/c1-15-19(16-4-2-5-17(14-16)23(24,25)26)20-28-10-13-31(20)21(29-15)30-11-8-22(9-12-30)7-3-6-18(22)27/h2,4-5,10,13-14,18H,3,6-9,11-12,27H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-8-[7-methyl-8-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[7-methyl-8-[3-(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-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).