1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride

C26H30Cl2N6O — CID 44529511

IUPAC1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.Cn1ncc2c3c(CCN4CCC(NCc5cc6c(cn5)OCC6)CC4)c(Cl)cnc3ccc21
InChIInChI=1S/C26H29ClN6O.ClH/c1-32-24-3-2-23-26(21(24)14-31-32)20(22(27)15-30-23)6-10-33-8-4-18(5-9-33)28-13-19-12-17-7-11-34-25(17)16-29-19;/h2-3,12,14-16,18,28H,4-11,13H2,1H3;1H
InChIKeyPJWPOIPAWFTAHD-UHFFFAOYSA-N
MW513.47 g/mol
LogP4.32
Rot. Bonds6

About 1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride

1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 44529511) has the molecular formula C26H30Cl2N6O and a molecular weight of 513.47 g/mol. Its IUPAC name is 1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride
PubChem CID44529511
Molecular FormulaC26H30Cl2N6O
Molecular Weight513.47 g/mol
Exact Mass512.19
IUPAC Name1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.Cn1ncc2c3c(CCN4CCC(NCc5cc6c(cn5)OCC6)CC4)c(Cl)cnc3ccc21
InChIInChI=1S/C26H29ClN6O.ClH/c1-32-24-3-2-23-26(21(24)14-31-32)20(22(27)15-30-23)6-10-33-8-4-18(5-9-33)28-13-19-12-17-7-11-34-25(17)16-29-19;/h2-3,12,14-16,18,28H,4-11,13H2,1H3;1H
InChIKeyPJWPOIPAWFTAHD-UHFFFAOYSA-N
XLogP4.32
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride (CID 44529511) is 1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride is Cl.Cn1ncc2c3c(CCN4CCC(NCc5cc6c(cn5)OCC6)CC4)c(Cl)cnc3ccc21.
What is the InChIKey of 1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is PJWPOIPAWFTAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O.ClH/c1-32-24-3-2-23-26(21(24)14-31-32)20(22(27)15-30-23)6-10-33-8-4-18(5-9-33)28-13-19-12-17-7-11-34-25(17)16-29-19;/h2-3,12,14-16,18,28H,4-11,13H2,1H3;1H.
What are the key properties of 1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride?
1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 513.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 44529511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).