(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone

C19H15ClN4O2 — CID 66875401

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone
SMILESCC1c2cc3occc3cc2CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C19H15ClN4O2/c1-11-15-7-17-13(3-5-26-17)6-12(15)2-4-23(11)19(25)16-8-18-21-9-14(20)10-24(18)22-16/h3,5-11H,2,4H2,1H3
InChIKeyVMASDANDMTYPGI-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.89
Rot. Bonds1

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone (PubChem CID 66875401) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone
PubChem CID66875401
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone
SMILESCC1c2cc3occc3cc2CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C19H15ClN4O2/c1-11-15-7-17-13(3-5-26-17)6-12(15)2-4-23(11)19(25)16-8-18-21-9-14(20)10-24(18)22-16/h3,5-11H,2,4H2,1H3
InChIKeyVMASDANDMTYPGI-UHFFFAOYSA-N
XLogP3.89
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.89
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)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone (CID 66875401) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone is CC1c2cc3occc3cc2CCN1C(=O)c1cc2ncc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone?
The InChIKey is VMASDANDMTYPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-11-15-7-17-13(3-5-26-17)6-12(15)2-4-23(11)19(25)16-8-18-21-9-14(20)10-24(18)22-16/h3,5-11H,2,4H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone has a molecular weight of 366.81 g/mol, XLogP of 3.89, 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)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone is sourced from PubChem (CID 66875401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).