5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one

C25H30N4OS — CID 143150278

IUPAC5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCC1NN=C2c3cc(-c4ccc(CN5CCCCC5)s4)ccc3N(CC3CC3)C(=O)C21
InChIInChI=1S/C25H30N4OS/c1-16-23-24(27-26-16)20-13-18(7-9-21(20)29(25(23)30)14-17-5-6-17)22-10-8-19(31-22)15-28-11-3-2-4-12-28/h7-10,13,16-17,23,26H,2-6,11-12,14-15H2,1H3
InChIKeyJPOKOSICXNKLRP-UHFFFAOYSA-N
MW434.61 g/mol
LogP4.47
Rot. Bonds5

About 5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one

5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 143150278) has the molecular formula C25H30N4OS and a molecular weight of 434.61 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID143150278
Molecular FormulaC25H30N4OS
Molecular Weight434.61 g/mol
Exact Mass434.21
IUPAC Name5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCC1NN=C2c3cc(-c4ccc(CN5CCCCC5)s4)ccc3N(CC3CC3)C(=O)C21
InChIInChI=1S/C25H30N4OS/c1-16-23-24(27-26-16)20-13-18(7-9-21(20)29(25(23)30)14-17-5-6-17)22-10-8-19(31-22)15-28-11-3-2-4-12-28/h7-10,13,16-17,23,26H,2-6,11-12,14-15H2,1H3
InChIKeyJPOKOSICXNKLRP-UHFFFAOYSA-N
XLogP4.47
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one (CID 143150278) is 5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one is CC1NN=C2c3cc(-c4ccc(CN5CCCCC5)s4)ccc3N(CC3CC3)C(=O)C21.
What is the InChIKey of 5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is JPOKOSICXNKLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS/c1-16-23-24(27-26-16)20-13-18(7-9-21(20)29(25(23)30)14-17-5-6-17)22-10-8-19(31-22)15-28-11-3-2-4-12-28/h7-10,13,16-17,23,26H,2-6,11-12,14-15H2,1H3.
What are the key properties of 5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one?
5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 434.61 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-3-methyl-8-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3,3a-dihydro-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 143150278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).