6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine

C28H35BrN12O — CID 143440008

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC/C=C\c1cnn2c(N)cc(C3CCCNC3)nc12.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1
InChIInChI=1S/C14H16BrN7O.C14H19N5/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10/h4-5,7,10,17H,2-3,6,16H2,1H3;2,4,7,9-10,16H,3,5-6,8,15H2,1H3/b;4-2-
InChIKeyVAGFXCLQSNSMOD-PMKJMFRLSA-N
MW635.58 g/mol
LogP2.95
Rot. Bonds4

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143440008) has the molecular formula C28H35BrN12O and a molecular weight of 635.58 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143440008
Molecular FormulaC28H35BrN12O
Molecular Weight635.58 g/mol
Exact Mass634.22
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC/C=C\c1cnn2c(N)cc(C3CCCNC3)nc12.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1
InChIInChI=1S/C14H16BrN7O.C14H19N5/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10/h4-5,7,10,17H,2-3,6,16H2,1H3;2,4,7,9-10,16H,3,5-6,8,15H2,1H3/b;4-2-
InChIKeyVAGFXCLQSNSMOD-PMKJMFRLSA-N
XLogP2.95
TPSA163.53 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.58
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-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

6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(morpholin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16226178
US9670208, Example 192 4-(3-(isochroman-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
CID 118216986
US10280184, Example I.1.3
CID 118466996
US10842803, Structure TABLE 1.32
CID 53362079
US10842803, Structure TABLE 1.53
CID 53390564
N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71198922
2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 168922110
4-(5-(3-(pyridin-3-yl)-1H-pyrazol-1-yl)-2-(tetrahydrofuran-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 168922113
5-fluoro-N-[2-[2-(1-methylpyrazolo[3,4-b]pyridin-3-yl)morpholin-4-yl]ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 168053443
6-bromo-3-(1-methylpyrrol-3-yl)-5-[(2R)-oxan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364723
6-Bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364811
6-bromo-3-(1-methylpyrazol-4-yl)-5-[(2R)-morpholin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68280623

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 143440008) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine is C/C=C\c1cnn2c(N)cc(C3CCCNC3)nc12.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VAGFXCLQSNSMOD-PMKJMFRLSA-N. The full InChI is InChI=1S/C14H16BrN7O.C14H19N5/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10/h4-5,7,10,17H,2-3,6,16H2,1H3;2,4,7,9-10,16H,3,5-6,8,15H2,1H3/b;4-2-.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 635.58 g/mol, XLogP of 2.95, 4 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143440008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).