3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H16F3N7O — CID 154040109

IUPAC3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2n[nH]c3c2CN(c2ncc(C(F)(F)F)cn2)CC3)c2cn[nH]c12
InChIInChI=1S/C19H16F3N7O/c1-30-15-3-2-11(12-8-25-27-17(12)15)16-13-9-29(5-4-14(13)26-28-16)18-23-6-10(7-24-18)19(20,21)22/h2-3,6-8H,4-5,9H2,1H3,(H,25,27)(H,26,28)
InChIKeyRBVSYMZMHXZTME-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.33
Rot. Bonds3

About 3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 154040109) has the molecular formula C19H16F3N7O and a molecular weight of 415.38 g/mol. Its IUPAC name is 3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID154040109
Molecular FormulaC19H16F3N7O
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC Name3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2n[nH]c3c2CN(c2ncc(C(F)(F)F)cn2)CC3)c2cn[nH]c12
InChIInChI=1S/C19H16F3N7O/c1-30-15-3-2-11(12-8-25-27-17(12)15)16-13-9-29(5-4-14(13)26-28-16)18-23-6-10(7-24-18)19(20,21)22/h2-3,6-8H,4-5,9H2,1H3,(H,25,27)(H,26,28)
InChIKeyRBVSYMZMHXZTME-UHFFFAOYSA-N
XLogP3.33
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 154040109) is 3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1ccc(-c2n[nH]c3c2CN(c2ncc(C(F)(F)F)cn2)CC3)c2cn[nH]c12.
What is the InChIKey of 3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is RBVSYMZMHXZTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O/c1-30-15-3-2-11(12-8-25-27-17(12)15)16-13-9-29(5-4-14(13)26-28-16)18-23-6-10(7-24-18)19(20,21)22/h2-3,6-8H,4-5,9H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 415.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 154040109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).