[3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

C23H19F2N5O2 — CID 146515657

IUPAC[3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCn1nc2c(c1-c1cncc(OC(F)F)c1)CCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C23H19F2N5O2/c1-29-21(16-10-17(12-26-11-16)32-23(24)25)18-6-8-30(13-20(18)28-29)22(31)15-4-5-19-14(9-15)3-2-7-27-19/h2-5,7,9-12,23H,6,8,13H2,1H3
InChIKeyAXWCPZWDYMHTGR-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.83
Rot. Bonds4

About [3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

[3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (PubChem CID 146515657) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is [3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
PubChem CID146515657
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Name[3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCn1nc2c(c1-c1cncc(OC(F)F)c1)CCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C23H19F2N5O2/c1-29-21(16-10-17(12-26-11-16)32-23(24)25)18-6-8-30(13-20(18)28-29)22(31)15-4-5-19-14(9-15)3-2-7-27-19/h2-5,7,9-12,23H,6,8,13H2,1H3
InChIKeyAXWCPZWDYMHTGR-UHFFFAOYSA-N
XLogP3.83
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The IUPAC name of [3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (CID 146515657) is [3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is Cn1nc2c(c1-c1cncc(OC(F)F)c1)CCN(C(=O)c1ccc3ncccc3c1)C2.
What is the InChIKey of [3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The InChIKey is AXWCPZWDYMHTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c1-29-21(16-10-17(12-26-11-16)32-23(24)25)18-6-8-30(13-20(18)28-29)22(31)15-4-5-19-14(9-15)3-2-7-27-19/h2-5,7,9-12,23H,6,8,13H2,1H3.
What are the key properties of [3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
[3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone has a molecular weight of 435.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(difluoromethoxy)-3-pyridinyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 146515657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).