1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole

C18H16ClN3O — CID 71729819

IUPAC1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc2c3n(nc2c1)C(C)CN=C3c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c1-11-10-20-17(12-3-5-13(19)6-4-12)18-15-8-7-14(23-2)9-16(15)21-22(11)18/h3-9,11H,10H2,1-2H3
InChIKeyDKABVFSYUJJZKN-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.11
Rot. Bonds2

About 1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole

1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole (PubChem CID 71729819) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole
PubChem CID71729819
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole
SMILESCOc1ccc2c3n(nc2c1)C(C)CN=C3c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c1-11-10-20-17(12-3-5-13(19)6-4-12)18-15-8-7-14(23-2)9-16(15)21-22(11)18/h3-9,11H,10H2,1-2H3
InChIKeyDKABVFSYUJJZKN-UHFFFAOYSA-N
XLogP4.11
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-chloro-4-methoxyphenyl)-2-ethyl-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine
CID 10200135
Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-methyl-amine
CID 44306372
1-(4-Methoxybenzyl)-3-((4-methoxybenzyl)oxy)-1H-indazole
CID 51357040
4-(4-Chloro-phenyl)-7-methoxy-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 25102386
NC4=C(C=C(C=C4Cl)C3=NCCN2[N+]([O-])=C1C=C(OC)C=CC1=C23)Cl
CID 25102388
4-(4-Chloro-phenyl)-7-methoxy-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25102508
7-Methoxy-4-p-tolyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 25102643
2,6-Dichloro-4-(7-methoxy-1,2-dihydro-3,9,9a-triaza-fluoren-4-yl)-phenylamine
CID 25102757
4-(4-Methoxy-phenyl)-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25161741
Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-b]pyridin-7-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 44341456
Dibutyl-[3-(2-chloro-4-methoxy-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-b]pyridin-7-yl]-amine
CID 44341809
Dibutyl-[3-(2-chloro-4-methoxy-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-amine
CID 44341901

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole?
The IUPAC name of 1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole (CID 71729819) is 1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole.
What is the SMILES notation for 1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole?
The canonical SMILES for 1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole is COc1ccc2c3n(nc2c1)C(C)CN=C3c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole?
The InChIKey is DKABVFSYUJJZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-11-10-20-17(12-3-5-13(19)6-4-12)18-15-8-7-14(23-2)9-16(15)21-22(11)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole?
1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole has a molecular weight of 325.80 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole is sourced from PubChem (CID 71729819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).