(7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol

C22H25N6O2+ — CID 91261569

IUPAC(7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol
SMILESCC[n+]1c(N2CCOCC2)c(CO)c(N)n2ncc(-c3cnc4ccccc4c3)c21
InChIInChI=1S/C22H24N6O2/c1-2-27-21(26-7-9-30-10-8-26)18(14-29)20(23)28-22(27)17(13-25-28)16-11-15-5-3-4-6-19(15)24-12-16/h3-6,11-13,23,29H,2,7-10,14H2,1H3/p+1
InChIKeyQVTXNTWOZPMIJP-UHFFFAOYSA-O
MW405.48 g/mol
LogP1.77
Rot. Bonds4

About (7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol

(7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol (PubChem CID 91261569) has the molecular formula C22H25N6O2+ and a molecular weight of 405.48 g/mol. Its IUPAC name is (7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol.

Molecular Properties

Compound Name(7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol
PubChem CID91261569
Molecular FormulaC22H25N6O2+
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name(7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol
SMILESCC[n+]1c(N2CCOCC2)c(CO)c(N)n2ncc(-c3cnc4ccccc4c3)c21
InChIInChI=1S/C22H24N6O2/c1-2-27-21(26-7-9-30-10-8-26)18(14-29)20(23)28-22(27)17(13-25-28)16-11-15-5-3-4-6-19(15)24-12-16/h3-6,11-13,23,29H,2,7-10,14H2,1H3/p+1
InChIKeyQVTXNTWOZPMIJP-UHFFFAOYSA-O
XLogP1.77
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

7-amino-4-methyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-carbonitrile
CID 91300461
4-(7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)morpholine
CID 91197885
6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159498951
2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetic acid
CID 58173501
6-bromo-5-[(heptan-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70214020
(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl-(3-methoxyoxan-4-yl)-dimethylazanium
CID 90713416
2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
CID 90926114
6-bromo-5-(1-ethylsulfonylpiperidin-4-yl)oxy-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70214255
3-morpholin-4-ylquinolin-2-amine
CID 67346064
4-(7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-thiazinane 1,1-dioxide
CID 91563864
2-quinolin-3-ylaniline
CID 4134401
1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 70217054

Frequently Asked Questions

What is the IUPAC name of (7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol?
The IUPAC name of (7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol (CID 91261569) is (7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol.
What is the SMILES notation for (7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol?
The canonical SMILES for (7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol is CC[n+]1c(N2CCOCC2)c(CO)c(N)n2ncc(-c3cnc4ccccc4c3)c21.
What is the InChIKey of (7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol?
The InChIKey is QVTXNTWOZPMIJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N6O2/c1-2-27-21(26-7-9-30-10-8-26)18(14-29)20(23)28-22(27)17(13-25-28)16-11-15-5-3-4-6-19(15)24-12-16/h3-6,11-13,23,29H,2,7-10,14H2,1H3/p+1.
What are the key properties of (7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol?
(7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol has a molecular weight of 405.48 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-4-ethyl-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl)methanol is sourced from PubChem (CID 91261569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).