5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C25H31BrN14 — CID 143440149

IUPAC5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(CCN)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CCCN)nc23)cn1
InChIInChI=1S/C13H17N7.C12H14BrN7/c1-19-8-9(6-16-19)11-7-17-20-12(15)5-10(3-2-4-14)18-13(11)20;1-19-6-7(4-16-19)8-5-17-20-11(15)10(13)9(2-3-14)18-12(8)20/h5-8H,2-4,14-15H2,1H3;4-6H,2-3,14-15H2,1H3
InChIKeyZMQRYRNSYHKFIL-UHFFFAOYSA-N
MW607.53 g/mol
LogP1.58
Rot. Bonds7

About 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143440149) has the molecular formula C25H31BrN14 and a molecular weight of 607.53 g/mol. Its IUPAC name is 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143440149
Molecular FormulaC25H31BrN14
Molecular Weight607.53 g/mol
Exact Mass606.20
IUPAC Name5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(CCN)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CCCN)nc23)cn1
InChIInChI=1S/C13H17N7.C12H14BrN7/c1-19-8-9(6-16-19)11-7-17-20-12(15)5-10(3-2-4-14)18-13(11)20;1-19-6-7(4-16-19)8-5-17-20-11(15)10(13)9(2-3-14)18-12(8)20/h5-8H,2-4,14-15H2,1H3;4-6H,2-3,14-15H2,1H3
InChIKeyZMQRYRNSYHKFIL-UHFFFAOYSA-N
XLogP1.58
TPSA200.10 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.53
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

Sch-900776
CID 46239015
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224745
6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((3S)-piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 46239014
3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10043221
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10403564
3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10471927
3,6-bis(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224372
6-Bromo-5-(piperidin-3-yl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224747
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(thiomorpholin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16226179
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(pyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16226383
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24824518
N-ethyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53321363

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143440149) is 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Br)c(CCN)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CCCN)nc23)cn1.
What is the InChIKey of 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZMQRYRNSYHKFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7.C12H14BrN7/c1-19-8-9(6-16-19)11-7-17-20-12(15)5-10(3-2-4-14)18-13(11)20;1-19-6-7(4-16-19)8-5-17-20-11(15)10(13)9(2-3-14)18-12(8)20/h5-8H,2-4,14-15H2,1H3;4-6H,2-3,14-15H2,1H3.
What are the key properties of 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 607.53 g/mol, XLogP of 1.58, 7 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143440149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).