8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one

C20H16Cl2N4O2 — CID 137093069

IUPAC8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
SMILESCc1nn(-c2cc(OCC3CC3)ccc2Cl)c2c1c(=O)[nH]c1ccc(Cl)nc12
InChIInChI=1S/C20H16Cl2N4O2/c1-10-17-19(18-14(23-20(17)27)6-7-16(22)24-18)26(25-10)15-8-12(4-5-13(15)21)28-9-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,23,27)
InChIKeyLUJYZELYBGDWBN-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.67
Rot. Bonds4

About 8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one

8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one (PubChem CID 137093069) has the molecular formula C20H16Cl2N4O2 and a molecular weight of 415.28 g/mol. Its IUPAC name is 8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
PubChem CID137093069
Molecular FormulaC20H16Cl2N4O2
Molecular Weight415.28 g/mol
Exact Mass414.07
IUPAC Name8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
SMILESCc1nn(-c2cc(OCC3CC3)ccc2Cl)c2c1c(=O)[nH]c1ccc(Cl)nc12
InChIInChI=1S/C20H16Cl2N4O2/c1-10-17-19(18-14(23-20(17)27)6-7-16(22)24-18)26(25-10)15-8-12(4-5-13(15)21)28-9-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,23,27)
InChIKeyLUJYZELYBGDWBN-UHFFFAOYSA-N
XLogP4.67
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The IUPAC name of 8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one (CID 137093069) is 8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one.
What is the SMILES notation for 8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The canonical SMILES for 8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one is Cc1nn(-c2cc(OCC3CC3)ccc2Cl)c2c1c(=O)[nH]c1ccc(Cl)nc12.
What is the InChIKey of 8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The InChIKey is LUJYZELYBGDWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2/c1-10-17-19(18-14(23-20(17)27)6-7-16(22)24-18)26(25-10)15-8-12(4-5-13(15)21)28-9-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,23,27).
What are the key properties of 8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one has a molecular weight of 415.28 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-[2-chloro-5-(cyclopropylmethoxy)phenyl]-3-methyl-5H-pyrazolo[4,5-c][1,5]naphthyridin-4-one is sourced from PubChem (CID 137093069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).