(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone

C16H14ClN5O — CID 24810367

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone
SMILESCC1c2ccncc2CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C16H14ClN5O/c1-10-13-2-4-18-7-11(13)3-5-21(10)16(23)14-6-15-19-8-12(17)9-22(15)20-14/h2,4,6-10H,3,5H2,1H3
InChIKeyYGFWNVMMQJVICV-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.54
Rot. Bonds1

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone (PubChem CID 24810367) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone
PubChem CID24810367
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone
SMILESCC1c2ccncc2CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C16H14ClN5O/c1-10-13-2-4-18-7-11(13)3-5-21(10)16(23)14-6-15-19-8-12(17)9-22(15)20-14/h2,4,6-10H,3,5H2,1H3
InChIKeyYGFWNVMMQJVICV-UHFFFAOYSA-N
XLogP2.54
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone (CID 24810367) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone is CC1c2ccncc2CCN1C(=O)c1cc2ncc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone?
The InChIKey is YGFWNVMMQJVICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-10-13-2-4-18-7-11(13)3-5-21(10)16(23)14-6-15-19-8-12(17)9-22(15)20-14/h2,4,6-10H,3,5H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone has a molecular weight of 327.78 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone is sourced from PubChem (CID 24810367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).