7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine

C31H28N12O — CID 160604527

IUPAC7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]ncc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12
InChIInChI=1S/C18H18N6O.C13H10N6/c19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;14-13-9-6-16-19-12(9)8-2-1-7(5-11(8)17-13)10-3-4-15-18-10/h4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);1-6H,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyRERYRUNXJVFNLJ-UHFFFAOYSA-N
MW584.65 g/mol
LogP5.34
Rot. Bonds3

About 7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine

7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine (PubChem CID 160604527) has the molecular formula C31H28N12O and a molecular weight of 584.65 g/mol. Its IUPAC name is 7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine
PubChem CID160604527
Molecular FormulaC31H28N12O
Molecular Weight584.65 g/mol
Exact Mass584.25
IUPAC Name7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]ncc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12
InChIInChI=1S/C18H18N6O.C13H10N6/c19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;14-13-9-6-16-19-12(9)8-2-1-7(5-11(8)17-13)10-3-4-15-18-10/h4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);1-6H,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyRERYRUNXJVFNLJ-UHFFFAOYSA-N
XLogP5.34
TPSA190.91 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.65
LogP ≤ 55.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

(1R,4R)-5-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorobenzyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 49837090
(1S,4S)-5-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)benzyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 49837088
(1S,4S)-5-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorobenzyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 49837089
US10954240, Example 18
CID 118917381
US10954240, Example 69
CID 118930238
US10023576, Example 72
CID 130362854
4-[4-(1H-indazol-6-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 71520767
4-[6-(1H-indazol-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-yl]morpholine
CID 134805708
4-[6-(1H-indazol-6-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
CID 134807251
(4R)-5-[[3-fluoro-4-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 68666295
(4S)-5-[[3-fluoro-4-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 68666313
N-(5-fluoro-2-pyridinyl)-4-[1-(oxan-2-yl)indazol-6-yl]pyrimidin-2-amine
CID 141507829

Frequently Asked Questions

What is the IUPAC name of 7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine (CID 160604527) is 7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]ncc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12.
What is the InChIKey of 7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine?
The InChIKey is RERYRUNXJVFNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O.C13H10N6/c19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;14-13-9-6-16-19-12(9)8-2-1-7(5-11(8)17-13)10-3-4-15-18-10/h4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);1-6H,(H2,14,17)(H,15,18)(H,16,19).
What are the key properties of 7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine?
7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine has a molecular weight of 584.65 g/mol, XLogP of 5.34, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine;7-(1H-pyrazol-5-yl)-1H-pyrazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 160604527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).