2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide

C26H24F3N7O3 — CID 137374909

IUPAC2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
SMILESC[C@H]1Cc2c(ncnc2Oc2cc3ccccc3n2C(=O)Nc2cc(C(F)(F)F)n(C)n2)CN1C(=O)C1CC1
InChIInChI=1S/C26H24F3N7O3/c1-14-9-17-18(12-35(14)24(37)15-7-8-15)30-13-31-23(17)39-22-10-16-5-3-4-6-19(16)36(22)25(38)32-21-11-20(26(27,28)29)34(2)33-21/h3-6,10-11,13-15H,7-9,12H2,1-2H3,(H,32,33,38)/t14-/m0/s1
InChIKeyQNAIAYHXYWFRMQ-AWEZNQCLSA-N
MW539.52 g/mol
LogP4.74
Rot. Bonds4

About 2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide

2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide (PubChem CID 137374909) has the molecular formula C26H24F3N7O3 and a molecular weight of 539.52 g/mol. Its IUPAC name is 2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide.

Molecular Properties

Compound Name2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
PubChem CID137374909
Molecular FormulaC26H24F3N7O3
Molecular Weight539.52 g/mol
Exact Mass539.19
IUPAC Name2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
SMILESC[C@H]1Cc2c(ncnc2Oc2cc3ccccc3n2C(=O)Nc2cc(C(F)(F)F)n(C)n2)CN1C(=O)C1CC1
InChIInChI=1S/C26H24F3N7O3/c1-14-9-17-18(12-35(14)24(37)15-7-8-15)30-13-31-23(17)39-22-10-16-5-3-4-6-19(16)36(22)25(38)32-21-11-20(26(27,28)29)34(2)33-21/h3-6,10-11,13-15H,7-9,12H2,1-2H3,(H,32,33,38)/t14-/m0/s1
InChIKeyQNAIAYHXYWFRMQ-AWEZNQCLSA-N
XLogP4.74
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
The IUPAC name of 2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide (CID 137374909) is 2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide.
What is the SMILES notation for 2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
The canonical SMILES for 2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide is C[C@H]1Cc2c(ncnc2Oc2cc3ccccc3n2C(=O)Nc2cc(C(F)(F)F)n(C)n2)CN1C(=O)C1CC1.
What is the InChIKey of 2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
The InChIKey is QNAIAYHXYWFRMQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C26H24F3N7O3/c1-14-9-17-18(12-35(14)24(37)15-7-8-15)30-13-31-23(17)39-22-10-16-5-3-4-6-19(16)36(22)25(38)32-21-11-20(26(27,28)29)34(2)33-21/h3-6,10-11,13-15H,7-9,12H2,1-2H3,(H,32,33,38)/t14-/m0/s1.
What are the key properties of 2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide has a molecular weight of 539.52 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6S)-7-(cyclopropanecarbonyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide is sourced from PubChem (CID 137374909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).