1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol

C24H35N5O4 — CID 123742175

IUPAC1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(OC)cc(-c2cc(N(C)CCOC)n3ncc(C(C)C)c3n2)c1
InChIInChI=1S/C24H35N5O4/c1-16(2)21-14-26-29-23(28(4)7-8-31-5)12-22(27-24(21)29)17-9-19(32-6)11-20(10-17)33-15-18(30)13-25-3/h9-12,14,16,18,25,30H,7-8,13,15H2,1-6H3
InChIKeyQKOSVKCDUDDTJP-UHFFFAOYSA-N
MW457.58 g/mol
LogP2.57
Rot. Bonds12

About 1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 123742175) has the molecular formula C24H35N5O4 and a molecular weight of 457.58 g/mol. Its IUPAC name is 1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID123742175
Molecular FormulaC24H35N5O4
Molecular Weight457.58 g/mol
Exact Mass457.27
IUPAC Name1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(OC)cc(-c2cc(N(C)CCOC)n3ncc(C(C)C)c3n2)c1
InChIInChI=1S/C24H35N5O4/c1-16(2)21-14-26-29-23(28(4)7-8-31-5)12-22(27-24(21)29)17-9-19(32-6)11-20(10-17)33-15-18(30)13-25-3/h9-12,14,16,18,25,30H,7-8,13,15H2,1-6H3
InChIKeyQKOSVKCDUDDTJP-UHFFFAOYSA-N
XLogP2.57
TPSA93.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol 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

1-[3-methoxy-5-[7-(6-methyl-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123712366
1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123251753
1-[3-[3-[1-[4-[[5-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]oxolan-2-yl]propan-2-yl]-7-[methyl(oxolan-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123756655
1-[3-chloro-5-[7-(5-oxa-8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 130278486
1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile
CID 157467047
1-[3-[4-[bis(2-methoxyethyl)amino]-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 85472808
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 43188013
[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamic acid
CID 130476080
1-[3-methoxy-5-[3-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 134216534
(2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol
CID 39352654
3-(3-amino-2-nitrosopropoxy)-N-benzyl-N-methyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)aniline
CID 134216513
3-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-1-[3-[4-(3-aminopropylamino)-6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrazolo[5,4-b]pyridin-1-yl]butyl]-1-methylurea
CID 130279422

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 123742175) is 1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cc(OC)cc(-c2cc(N(C)CCOC)n3ncc(C(C)C)c3n2)c1.
What is the InChIKey of 1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is QKOSVKCDUDDTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O4/c1-16(2)21-14-26-29-23(28(4)7-8-31-5)12-22(27-24(21)29)17-9-19(32-6)11-20(10-17)33-15-18(30)13-25-3/h9-12,14,16,18,25,30H,7-8,13,15H2,1-6H3.
What are the key properties of 1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 457.58 g/mol, XLogP of 2.57, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 123742175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).