5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide

C23H22F3N7O2 — CID 59394079

IUPAC5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C(F)(F)F)CC4)n(C)n3)c2)ncn1
InChIInChI=1S/C23H22F3N7O2/c1-27-12-15-10-20(29-13-28-15)35-16-3-4-17-14(9-16)5-8-33(17)21(34)30-19-11-18(32(2)31-19)22(6-7-22)23(24,25)26/h3-5,8-11,13,27H,6-7,12H2,1-2H3,(H,30,31,34)
InChIKeyZFVCJGLIKMZYHR-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.35
Rot. Bonds6

About 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide

5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide (PubChem CID 59394079) has the molecular formula C23H22F3N7O2 and a molecular weight of 485.47 g/mol. Its IUPAC name is 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide.

Molecular Properties

Compound Name5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide
PubChem CID59394079
Molecular FormulaC23H22F3N7O2
Molecular Weight485.47 g/mol
Exact Mass485.18
IUPAC Name5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide
SMILESCNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C(F)(F)F)CC4)n(C)n3)c2)ncn1
InChIInChI=1S/C23H22F3N7O2/c1-27-12-15-10-20(29-13-28-15)35-16-3-4-17-14(9-16)5-8-33(17)21(34)30-19-11-18(32(2)31-19)22(6-7-22)23(24,25)26/h3-5,8-11,13,27H,6-7,12H2,1-2H3,(H,30,31,34)
InChIKeyZFVCJGLIKMZYHR-UHFFFAOYSA-N
XLogP4.35
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide?
The IUPAC name of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide (CID 59394079) is 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide.
What is the SMILES notation for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide?
The canonical SMILES for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide is CNCc1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C4(C(F)(F)F)CC4)n(C)n3)c2)ncn1.
What is the InChIKey of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide?
The InChIKey is ZFVCJGLIKMZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O2/c1-27-12-15-10-20(29-13-28-15)35-16-3-4-17-14(9-16)5-8-33(17)21(34)30-19-11-18(32(2)31-19)22(6-7-22)23(24,25)26/h3-5,8-11,13,27H,6-7,12H2,1-2H3,(H,30,31,34).
What are the key properties of 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide?
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide has a molecular weight of 485.47 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-[1-(trifluoromethyl)cyclopropyl]pyrazol-3-yl]indole-1-carboxamide is sourced from PubChem (CID 59394079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).