3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H11Br2N5S — CID 21067004

IUPAC3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1ccsc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C16H11Br2N5S/c17-11-3-5-24-15(11)13-6-14(20-8-10-2-1-4-19-7-10)23-16(22-13)12(18)9-21-23/h1-7,9,20H,8H2
InChIKeyCXULRPZFLJZMSD-UHFFFAOYSA-N
MW465.17 g/mol
LogP4.99
Rot. Bonds4

About 3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21067004) has the molecular formula C16H11Br2N5S and a molecular weight of 465.17 g/mol. Its IUPAC name is 3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21067004
Molecular FormulaC16H11Br2N5S
Molecular Weight465.17 g/mol
Exact Mass462.91
IUPAC Name3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1ccsc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C16H11Br2N5S/c17-11-3-5-24-15(11)13-6-14(20-8-10-2-1-4-19-7-10)23-16(22-13)12(18)9-21-23/h1-7,9,20H,8H2
InChIKeyCXULRPZFLJZMSD-UHFFFAOYSA-N
XLogP4.99
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.17
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 21067004) is 3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Brc1ccsc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CXULRPZFLJZMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2N5S/c17-11-3-5-24-15(11)13-6-14(20-8-10-2-1-4-19-7-10)23-16(22-13)12(18)9-21-23/h1-7,9,20H,8H2.
What are the key properties of 3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 465.17 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21067004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).