2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol

C20H20FN5O — CID 156727141

IUPAC2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol
SMILESCn1cc(-c2ccc(Nc3n[nH]c4cc(C(C)(C)O)ccc34)c(F)c2)cn1
InChIInChI=1S/C20H20FN5O/c1-20(2,27)14-5-6-15-18(9-14)24-25-19(15)23-17-7-4-12(8-16(17)21)13-10-22-26(3)11-13/h4-11,27H,1-3H3,(H2,23,24,25)
InChIKeyLOXPYNZDNWPOOT-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.07
Rot. Bonds4

About 2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol

2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol (PubChem CID 156727141) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol
PubChem CID156727141
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol
SMILESCn1cc(-c2ccc(Nc3n[nH]c4cc(C(C)(C)O)ccc34)c(F)c2)cn1
InChIInChI=1S/C20H20FN5O/c1-20(2,27)14-5-6-15-18(9-14)24-25-19(15)23-17-7-4-12(8-16(17)21)13-10-22-26(3)11-13/h4-11,27H,1-3H3,(H2,23,24,25)
InChIKeyLOXPYNZDNWPOOT-UHFFFAOYSA-N
XLogP4.07
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol (CID 156727141) is 2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol is Cn1cc(-c2ccc(Nc3n[nH]c4cc(C(C)(C)O)ccc34)c(F)c2)cn1.
What is the InChIKey of 2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol?
The InChIKey is LOXPYNZDNWPOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-20(2,27)14-5-6-15-18(9-14)24-25-19(15)23-17-7-4-12(8-16(17)21)13-10-22-26(3)11-13/h4-11,27H,1-3H3,(H2,23,24,25).
What are the key properties of 2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol?
2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol has a molecular weight of 365.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol is sourced from PubChem (CID 156727141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).