N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H14BrClN6 — CID 10002753

IUPACN-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cn1
InChIInChI=1S/C18H14BrClN6/c19-13-10-24-26-17(23-9-11-5-6-16(21)22-8-11)7-15(25-18(13)26)12-3-1-2-4-14(12)20/h1-8,10,23H,9H2,(H2,21,22)
InChIKeySQTJYWFGSTZPMP-UHFFFAOYSA-N
MW429.71 g/mol
LogP4.40
Rot. Bonds4

About N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10002753) has the molecular formula C18H14BrClN6 and a molecular weight of 429.71 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10002753
Molecular FormulaC18H14BrClN6
Molecular Weight429.71 g/mol
Exact Mass428.02
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cn1
InChIInChI=1S/C18H14BrClN6/c19-13-10-24-26-17(23-9-11-5-6-16(21)22-8-11)7-15(25-18(13)26)12-3-1-2-4-14(12)20/h1-8,10,23H,9H2,(H2,21,22)
InChIKeySQTJYWFGSTZPMP-UHFFFAOYSA-N
XLogP4.40
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.71
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 10002753) is N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1ccc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cn1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SQTJYWFGSTZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN6/c19-13-10-24-26-17(23-9-11-5-6-16(21)22-8-11)7-15(25-18(13)26)12-3-1-2-4-14(12)20/h1-8,10,23H,9H2,(H2,21,22).
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 429.71 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10002753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).