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

C21H17F4N7O2 — CID 59394775

IUPAC4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
SMILESCC1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)[nH]n3)c2F)CN1
InChIInChI=1S/C21H17F4N7O2/c1-10-6-12-13(8-26-10)27-9-28-19(12)34-15-3-2-14-11(18(15)22)4-5-32(14)20(33)29-17-7-16(30-31-17)21(23,24)25/h2-5,7,9-10,26H,6,8H2,1H3,(H2,29,30,31,33)
InChIKeyWQXNMBNIODEYKM-UHFFFAOYSA-N
MW475.41 g/mol
LogP4.22
Rot. Bonds3

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

4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide (PubChem CID 59394775) has the molecular formula C21H17F4N7O2 and a molecular weight of 475.41 g/mol. Its IUPAC name is 4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
PubChem CID59394775
Molecular FormulaC21H17F4N7O2
Molecular Weight475.41 g/mol
Exact Mass475.14
IUPAC Name4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
SMILESCC1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)[nH]n3)c2F)CN1
InChIInChI=1S/C21H17F4N7O2/c1-10-6-12-13(8-26-10)27-9-28-19(12)34-15-3-2-14-11(18(15)22)4-5-32(14)20(33)29-17-7-16(30-31-17)21(23,24)25/h2-5,7,9-10,26H,6,8H2,1H3,(H2,29,30,31,33)
InChIKeyWQXNMBNIODEYKM-UHFFFAOYSA-N
XLogP4.22
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.41
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide?
The IUPAC name of 4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide (CID 59394775) is 4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide.
What is the SMILES notation for 4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide?
The canonical SMILES for 4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide is CC1Cc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)[nH]n3)c2F)CN1.
What is the InChIKey of 4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide?
The InChIKey is WQXNMBNIODEYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N7O2/c1-10-6-12-13(8-26-10)27-9-28-19(12)34-15-3-2-14-11(18(15)22)4-5-32(14)20(33)29-17-7-16(30-31-17)21(23,24)25/h2-5,7,9-10,26H,6,8H2,1H3,(H2,29,30,31,33).
What are the key properties of 4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide?
4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide has a molecular weight of 475.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide is sourced from PubChem (CID 59394775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).