5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

C24H20F3N5O2 — CID 90718764

IUPAC5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESC[C@@H]1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)CN1
InChIInChI=1S/C24H20F3N5O2/c1-14-9-19-20(12-28-14)29-13-30-22(19)34-18-5-6-21-15(10-18)7-8-32(21)23(33)31-17-4-2-3-16(11-17)24(25,26)27/h2-8,10-11,13-14,28H,9,12H2,1H3,(H,31,33)/t14-/m1/s1
InChIKeyNSHMANQZSCXBCX-CQSZACIVSA-N
MW467.45 g/mol
LogP5.36
Rot. Bonds3

About 5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 90718764) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID90718764
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESC[C@@H]1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)CN1
InChIInChI=1S/C24H20F3N5O2/c1-14-9-19-20(12-28-14)29-13-30-22(19)34-18-5-6-21-15(10-18)7-8-32(21)23(33)31-17-4-2-3-16(11-17)24(25,26)27/h2-8,10-11,13-14,28H,9,12H2,1H3,(H,31,33)/t14-/m1/s1
InChIKeyNSHMANQZSCXBCX-CQSZACIVSA-N
XLogP5.36
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The IUPAC name of 5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 90718764) is 5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for 5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The canonical SMILES for 5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is C[C@@H]1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)CN1.
What is the InChIKey of 5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is NSHMANQZSCXBCX-CQSZACIVSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-14-9-19-20(12-28-14)29-13-30-22(19)34-18-5-6-21-15(10-18)7-8-32(21)23(33)31-17-4-2-3-16(11-17)24(25,26)27/h2-8,10-11,13-14,28H,9,12H2,1H3,(H,31,33)/t14-/m1/s1.
What are the key properties of 5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 467.45 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 90718764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).