tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid

C74H83BrN18O9 — CID 160560167

IUPACtert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
SMILESCC(C)(C)OC(=O)CCBr.CC(C)(C)OC(=O)CCNc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.O=C(O)CCNc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C26H30N6O3.C22H22N6O3.C19H18N6O.C7H13BrO2/c1-26(2,3)35-24(33)8-9-27-22-15-23(31-10-12-34-13-11-31)30-25-20(17-29-32(22)25)19-14-18-6-4-5-7-21(18)28-16-19;29-21(30)5-6-23-19-12-20(27-7-9-31-10-8-27)26-22-17(14-25-28(19)22)16-11-15-3-1-2-4-18(15)24-13-16;20-17-10-18(24-5-7-26-8-6-24)23-19-15(12-22-25(17)19)14-9-13-3-1-2-4-16(13)21-11-14;1-7(2,3)10-6(9)4-5-8/h4-7,14-17,27H,8-13H2,1-3H3;1-4,11-14,23H,5-10H2,(H,29,30);1-4,9-12H,5-8,20H2;4-5H2,1-3H3
InChIKeyQZEWPOHYHYVREG-UHFFFAOYSA-N
MW1448.50 g/mol
LogP11.07
Rot. Bonds16

About tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid

tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid (PubChem CID 160560167) has the molecular formula C74H83BrN18O9 and a molecular weight of 1448.50 g/mol. Its IUPAC name is tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid.

Molecular Properties

Compound Nametert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
PubChem CID160560167
Molecular FormulaC74H83BrN18O9
Molecular Weight1448.50 g/mol
Exact Mass1446.58
IUPAC Nametert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
SMILESCC(C)(C)OC(=O)CCBr.CC(C)(C)OC(=O)CCNc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.O=C(O)CCNc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C26H30N6O3.C22H22N6O3.C19H18N6O.C7H13BrO2/c1-26(2,3)35-24(33)8-9-27-22-15-23(31-10-12-34-13-11-31)30-25-20(17-29-32(22)25)19-14-18-6-4-5-7-21(18)28-16-19;29-21(30)5-6-23-19-12-20(27-7-9-31-10-8-27)26-22-17(14-25-28(19)22)16-11-15-3-1-2-4-18(15)24-13-16;20-17-10-18(24-5-7-26-8-6-24)23-19-15(12-22-25(17)19)14-9-13-3-1-2-4-16(13)21-11-14;1-7(2,3)10-6(9)4-5-8/h4-7,14-17,27H,8-13H2,1-3H3;1-4,11-14,23H,5-10H2,(H,29,30);1-4,9-12H,5-8,20H2;4-5H2,1-3H3
InChIKeyQZEWPOHYHYVREG-UHFFFAOYSA-N
XLogP11.07
TPSA306.63 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001448.50
LogP ≤ 511.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid 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

N-[[8-morpholin-4-yl-3-(6-piperazin-1-ylpyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl]methyl]quinolin-2-amine;2,2,2-trifluoroacetic acid
CID 117728471
4-[3-(6-piperazin-1-ylpyridin-3-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-8-yl]morpholine;2,2,2-trifluoroacetic acid
CID 117728538
8-morpholin-4-yl-3-(6-piperazin-1-ylpyridin-3-yl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine;2,2,2-trifluoroacetic acid
CID 117728663
4-[3-(6-Piperazin-1-ylpyridin-3-yl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine;2,2,2-trifluoroacetic acid
CID 117728690
sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;methane;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid
CID 159131798
1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane)
CID 159743478
sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid
CID 160579443
6-cyclohexyl-10-(6-fluoroquinolin-3-yl)-4-methyl-N,N-bis(2-trimethylsilylethoxymethyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-2-amine;10-(6-fluoroquinolin-3-yl)-4-methyl-6-piperidin-4-yl-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-2-amine;2,2,2-trifluoroacetic acid
CID 161815418
sodium;tert-butyl N-(4-bromobutyl)carbamate;tert-butyl N-[4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butyl]carbamate;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;2,2,2-trifluoroacetaldehyde;2,2,2-trifluoroacetic acid
CID 163913351
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-8-yl]morpholine;2,2,2-trifluoroacetic acid
CID 173559303
3-(5-Morpholino-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-ylamino)propanoic acid
CID 66584647
Tert-butyl 3-(5-morpholino-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-ylamino)propanoate
CID 66585065

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid?
The IUPAC name of tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid (CID 160560167) is tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid.
What is the SMILES notation for tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid?
The canonical SMILES for tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid is CC(C)(C)OC(=O)CCBr.CC(C)(C)OC(=O)CCNc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.O=C(O)CCNc1cc(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid?
The InChIKey is QZEWPOHYHYVREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3.C22H22N6O3.C19H18N6O.C7H13BrO2/c1-26(2,3)35-24(33)8-9-27-22-15-23(31-10-12-34-13-11-31)30-25-20(17-29-32(22)25)19-14-18-6-4-5-7-21(18)28-16-19;29-21(30)5-6-23-19-12-20(27-7-9-31-10-8-27)26-22-17(14-25-28(19)22)16-11-15-3-1-2-4-18(15)24-13-16;20-17-10-18(24-5-7-26-8-6-24)23-19-15(12-22-25(17)19)14-9-13-3-1-2-4-16(13)21-11-14;1-7(2,3)10-6(9)4-5-8/h4-7,14-17,27H,8-13H2,1-3H3;1-4,11-14,23H,5-10H2,(H,29,30);1-4,9-12H,5-8,20H2;4-5H2,1-3H3.
What are the key properties of tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid?
tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid has a molecular weight of 1448.50 g/mol, XLogP of 11.07, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid is sourced from PubChem (CID 160560167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).