7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline

C20H17F2N5O — CID 137392118

IUPAC7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline
SMILESCCn1cc(-c2ccc(C(F)F)nc2-c2ccc3cc(OC)nnc3c2)cn1
InChIInChI=1S/C20H17F2N5O/c1-3-27-11-14(10-23-27)15-6-7-16(20(21)22)24-19(15)13-5-4-12-9-18(28-2)26-25-17(12)8-13/h4-11,20H,3H2,1-2H3
InChIKeyBFDYBBLEKBTROJ-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.52
Rot. Bonds5

About 7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline

7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline (PubChem CID 137392118) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is 7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline.

Molecular Properties

Compound Name7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline
PubChem CID137392118
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline
SMILESCCn1cc(-c2ccc(C(F)F)nc2-c2ccc3cc(OC)nnc3c2)cn1
InChIInChI=1S/C20H17F2N5O/c1-3-27-11-14(10-23-27)15-6-7-16(20(21)22)24-19(15)13-5-4-12-9-18(28-2)26-25-17(12)8-13/h4-11,20H,3H2,1-2H3
InChIKeyBFDYBBLEKBTROJ-UHFFFAOYSA-N
XLogP4.52
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline?
The IUPAC name of 7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline (CID 137392118) is 7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline.
What is the SMILES notation for 7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline?
The canonical SMILES for 7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline is CCn1cc(-c2ccc(C(F)F)nc2-c2ccc3cc(OC)nnc3c2)cn1.
What is the InChIKey of 7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline?
The InChIKey is BFDYBBLEKBTROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-3-27-11-14(10-23-27)15-6-7-16(20(21)22)24-19(15)13-5-4-12-9-18(28-2)26-25-17(12)8-13/h4-11,20H,3H2,1-2H3.
What are the key properties of 7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline?
7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline has a molecular weight of 381.39 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(difluoromethyl)-3-(1-ethylpyrazol-4-yl)-2-pyridinyl]-3-methoxycinnoline is sourced from PubChem (CID 137392118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).