7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one

C27H29N5O4 — CID 136505515

IUPAC7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C27H29N5O4/c1-17-14-23-21(25-22(26(33)30-23)16-29-32(25)18-7-12-35-13-8-18)15-20(17)27(34)31-10-5-19(6-11-31)36-24-4-2-3-9-28-24/h2-4,9,14-16,18-19H,5-8,10-13H2,1H3,(H,30,33)
InChIKeyNVJOREAYPULWFM-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.62
Rot. Bonds4

About 7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one

7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136505515) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136505515
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C27H29N5O4/c1-17-14-23-21(25-22(26(33)30-23)16-29-32(25)18-7-12-35-13-8-18)15-20(17)27(34)31-10-5-19(6-11-31)36-24-4-2-3-9-28-24/h2-4,9,14-16,18-19H,5-8,10-13H2,1H3,(H,30,33)
InChIKeyNVJOREAYPULWFM-UHFFFAOYSA-N
XLogP3.62
TPSA102.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136505515) is 7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(Oc2ccccn2)CC1.
What is the InChIKey of 7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is NVJOREAYPULWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-17-14-23-21(25-22(26(33)30-23)16-29-32(25)18-7-12-35-13-8-18)15-20(17)27(34)31-10-5-19(6-11-31)36-24-4-2-3-9-28-24/h2-4,9,14-16,18-19H,5-8,10-13H2,1H3,(H,30,33).
What are the key properties of 7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 487.56 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(oxan-4-yl)-8-(4-pyridin-2-yloxypiperidine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136505515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).