9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

C19H18ClN7S — CID 56602906

IUPAC9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2Cl)CC3)n1
InChIInChI=1S/C19H18ClN7S/c1-3-27-8-6-14(25-27)22-19-21-10-11-4-5-13-15(16(11)23-19)17(26(2)24-13)18-12(20)7-9-28-18/h6-10H,3-5H2,1-2H3,(H,21,22,23,25)
InChIKeyLSNZXDTVRNGQSU-UHFFFAOYSA-N
MW411.92 g/mol
LogP4.32
Rot. Bonds4

About 9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 56602906) has the molecular formula C19H18ClN7S and a molecular weight of 411.92 g/mol. Its IUPAC name is 9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID56602906
Molecular FormulaC19H18ClN7S
Molecular Weight411.92 g/mol
Exact Mass411.10
IUPAC Name9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2Cl)CC3)n1
InChIInChI=1S/C19H18ClN7S/c1-3-27-8-6-14(25-27)22-19-21-10-11-4-5-13-15(16(11)23-19)17(26(2)24-13)18-12(20)7-9-28-18/h6-10H,3-5H2,1-2H3,(H,21,22,23,25)
InChIKeyLSNZXDTVRNGQSU-UHFFFAOYSA-N
XLogP4.32
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.92
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 56602906) is 9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2Cl)CC3)n1.
What is the InChIKey of 9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is LSNZXDTVRNGQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7S/c1-3-27-8-6-14(25-27)22-19-21-10-11-4-5-13-15(16(11)23-19)17(26(2)24-13)18-12(20)7-9-28-18/h6-10H,3-5H2,1-2H3,(H,21,22,23,25).
What are the key properties of 9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 411.92 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chlorothiophen-2-yl)-N-(1-ethylpyrazol-3-yl)-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 56602906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).