[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone

C21H17ClN4O2 — CID 146515571

IUPAC[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone
SMILESCn1nc2c(c1-c1cccc(Cl)c1)CCN(C(=O)c1cc3ncccc3o1)C2
InChIInChI=1S/C21H17ClN4O2/c1-25-20(13-4-2-5-14(22)10-13)15-7-9-26(12-17(15)24-25)21(27)19-11-16-18(28-19)6-3-8-23-16/h2-6,8,10-11H,7,9,12H2,1H3
InChIKeyMFACGSJQAZCBPL-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.08
Rot. Bonds2

About [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone

[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone (PubChem CID 146515571) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone
PubChem CID146515571
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone
SMILESCn1nc2c(c1-c1cccc(Cl)c1)CCN(C(=O)c1cc3ncccc3o1)C2
InChIInChI=1S/C21H17ClN4O2/c1-25-20(13-4-2-5-14(22)10-13)15-7-9-26(12-17(15)24-25)21(27)19-11-16-18(28-19)6-3-8-23-16/h2-6,8,10-11H,7,9,12H2,1H3
InChIKeyMFACGSJQAZCBPL-UHFFFAOYSA-N
XLogP4.08
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone?
The IUPAC name of [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone (CID 146515571) is [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone.
What is the SMILES notation for [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone?
The canonical SMILES for [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone is Cn1nc2c(c1-c1cccc(Cl)c1)CCN(C(=O)c1cc3ncccc3o1)C2.
What is the InChIKey of [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone?
The InChIKey is MFACGSJQAZCBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-25-20(13-4-2-5-14(22)10-13)15-7-9-26(12-17(15)24-25)21(27)19-11-16-18(28-19)6-3-8-23-16/h2-6,8,10-11H,7,9,12H2,1H3.
What are the key properties of [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone?
[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone has a molecular weight of 392.85 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone is sourced from PubChem (CID 146515571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).