6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C29H34BrClN14S — CID 143440171

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C15H18ClN7.C14H16BrN7S/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10/h6-9,18H,2-5,17H2,1H3;4-5,7,10,17H,2-3,6,16H2,1H3
InChIKeyOYRLDOZSQWCNHW-UHFFFAOYSA-N
MW726.11 g/mol
LogP3.68
Rot. Bonds4

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143440171) has the molecular formula C29H34BrClN14S and a molecular weight of 726.11 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143440171
Molecular FormulaC29H34BrClN14S
Molecular Weight726.11 g/mol
Exact Mass724.17
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C15H18ClN7.C14H16BrN7S/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10/h6-9,18H,2-5,17H2,1H3;4-5,7,10,17H,2-3,6,16H2,1H3
InChIKeyOYRLDOZSQWCNHW-UHFFFAOYSA-N
XLogP3.68
TPSA172.12 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.11
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-[4-(7-amino-6-bromo-5-pyrrolidin-3-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 71199071
3-[1-[[5-[(3R)-3-aminocyclopentyl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70951390
N-[4-[7-amino-5-(1-oxo-1,4-thiazinan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71011341
3-[1-[[5-[(3R)-3-aminopyrrolidin-1-yl]-3,6-dibromopyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71198914
N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71198921
5-(5-amino-1-iodopentyl)-N-[4-[7-amino-5-(1-oxo-1,4-thiazinan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 89718042
5-[6-[4-(7-Amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143440071
6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143440315
6-Bromo-7-methyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine;6-bromo-7-methyl-3-(1-methylpyrazol-4-yl)-5-(1-propan-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidine;6-bromo-7-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 157600010
6-Bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine)
CID 157954716
Bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-iodo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157961396
5-(2-Aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(ethylamino)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158134400

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 143440171) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)cn1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OYRLDOZSQWCNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN7.C14H16BrN7S/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10/h6-9,18H,2-5,17H2,1H3;4-5,7,10,17H,2-3,6,16H2,1H3.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 726.11 g/mol, XLogP of 3.68, 4 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143440171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).