6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine

C24H29F3N6O — CID 164918291

IUPAC6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCN1CCN(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4C)ncnc3nc2OC)CC1
InChIInChI=1S/C24H29F3N6O/c1-5-32-9-11-33(12-10-32)20-13-18-21(28-14-29-22(18)31-23(20)34-4)30-16(3)17-7-6-8-19(15(17)2)24(25,26)27/h6-8,13-14,16H,5,9-12H2,1-4H3,(H,28,29,30,31)/t16-/m1/s1
InChIKeyHFWIDCGTKJIKTR-MRXNPFEDSA-N
MW474.53 g/mol
LogP4.68
Rot. Bonds6

About 6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine

6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 164918291) has the molecular formula C24H29F3N6O and a molecular weight of 474.53 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID164918291
Molecular FormulaC24H29F3N6O
Molecular Weight474.53 g/mol
Exact Mass474.24
IUPAC Name6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCN1CCN(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4C)ncnc3nc2OC)CC1
InChIInChI=1S/C24H29F3N6O/c1-5-32-9-11-33(12-10-32)20-13-18-21(28-14-29-22(18)31-23(20)34-4)30-16(3)17-7-6-8-19(15(17)2)24(25,26)27/h6-8,13-14,16H,5,9-12H2,1-4H3,(H,28,29,30,31)/t16-/m1/s1
InChIKeyHFWIDCGTKJIKTR-MRXNPFEDSA-N
XLogP4.68
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine (CID 164918291) is 6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine is CCN1CCN(c2cc3c(N[C@H](C)c4cccc(C(F)(F)F)c4C)ncnc3nc2OC)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is HFWIDCGTKJIKTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H29F3N6O/c1-5-32-9-11-33(12-10-32)20-13-18-21(28-14-29-22(18)31-23(20)34-4)30-16(3)17-7-6-8-19(15(17)2)24(25,26)27/h6-8,13-14,16H,5,9-12H2,1-4H3,(H,28,29,30,31)/t16-/m1/s1.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 474.53 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-7-methoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164918291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).