1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C23H27N5O2 — CID 121373224

IUPAC1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cccnc4OC(C)C)cc3)nn2C)C1
InChIInChI=1S/C23H27N5O2/c1-15(2)30-23-19(6-5-12-24-23)17-7-9-18(10-8-17)25-22-20-14-28(16(3)29)13-11-21(20)27(4)26-22/h5-10,12,15H,11,13-14H2,1-4H3,(H,25,26)
InChIKeyLYZIQOQONJWUCM-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.92
Rot. Bonds5

About 1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373224) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373224
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cccnc4OC(C)C)cc3)nn2C)C1
InChIInChI=1S/C23H27N5O2/c1-15(2)30-23-19(6-5-12-24-23)17-7-9-18(10-8-17)25-22-20-14-28(16(3)29)13-11-21(20)27(4)26-22/h5-10,12,15H,11,13-14H2,1-4H3,(H,25,26)
InChIKeyLYZIQOQONJWUCM-UHFFFAOYSA-N
XLogP3.92
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373224) is 1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cccnc4OC(C)C)cc3)nn2C)C1.
What is the InChIKey of 1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is LYZIQOQONJWUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15(2)30-23-19(6-5-12-24-23)17-7-9-18(10-8-17)25-22-20-14-28(16(3)29)13-11-21(20)27(4)26-22/h5-10,12,15H,11,13-14H2,1-4H3,(H,25,26).
What are the key properties of 1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 405.50 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-[4-(2-propan-2-yloxy-3-pyridinyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).