(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C15H13BrN6O — CID 58416368

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCC1c2cncnc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN6O/c1-9-11-6-17-8-19-12(11)2-3-21(9)15(23)13-4-14-18-5-10(16)7-22(14)20-13/h4-9H,2-3H2,1H3
InChIKeyXKLKOJRHSFMDQT-UHFFFAOYSA-N
MW373.21 g/mol
LogP2.04
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 58416368) has the molecular formula C15H13BrN6O and a molecular weight of 373.21 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID58416368
Molecular FormulaC15H13BrN6O
Molecular Weight373.21 g/mol
Exact Mass372.03
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCC1c2cncnc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN6O/c1-9-11-6-17-8-19-12(11)2-3-21(9)15(23)13-4-14-18-5-10(16)7-22(14)20-13/h4-9H,2-3H2,1H3
InChIKeyXKLKOJRHSFMDQT-UHFFFAOYSA-N
XLogP2.04
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 58416368) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is CC1c2cncnc2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is XKLKOJRHSFMDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN6O/c1-9-11-6-17-8-19-12(11)2-3-21(9)15(23)13-4-14-18-5-10(16)7-22(14)20-13/h4-9H,2-3H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 373.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 58416368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).