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

C16H14BrN5O — CID 123721396

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone
SMILESCN1CCCc2ncc(C(=O)c3cc4ncc(Br)cn4n3)cc21
InChIInChI=1S/C16H14BrN5O/c1-21-4-2-3-12-14(21)5-10(7-18-12)16(23)13-6-15-19-8-11(17)9-22(15)20-13/h5-9H,2-4H2,1H3
InChIKeyAKHZIDSPNPOLPW-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.50
Rot. Bonds2

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

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone (PubChem CID 123721396) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone
PubChem CID123721396
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone
SMILESCN1CCCc2ncc(C(=O)c3cc4ncc(Br)cn4n3)cc21
InChIInChI=1S/C16H14BrN5O/c1-21-4-2-3-12-14(21)5-10(7-18-12)16(23)13-6-15-19-8-11(17)9-22(15)20-13/h5-9H,2-4H2,1H3
InChIKeyAKHZIDSPNPOLPW-UHFFFAOYSA-N
XLogP2.50
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.50
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-6H-1,5-naphthyridin-3-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone (CID 123721396) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone is CN1CCCc2ncc(C(=O)c3cc4ncc(Br)cn4n3)cc21.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone?
The InChIKey is AKHZIDSPNPOLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-21-4-2-3-12-14(21)5-10(7-18-12)16(23)13-6-15-19-8-11(17)9-22(15)20-13/h5-9H,2-4H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl)methanone has a molecular weight of 372.23 g/mol, XLogP of 2.50, 2 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-6H-1,5-naphthyridin-3-yl)methanone is sourced from PubChem (CID 123721396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).