5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine

C24H23N5S — CID 10173188

IUPAC5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(Sc2ccc3ccccc3c2)nc2c1C(c1cc(C3CC3)n[nH]1)CCC2
InChIInChI=1S/C24H23N5S/c25-23-22-18(21-13-20(28-29-21)15-8-9-15)6-3-7-19(22)26-24(27-23)30-17-11-10-14-4-1-2-5-16(14)12-17/h1-2,4-5,10-13,15,18H,3,6-9H2,(H,28,29)(H2,25,26,27)
InChIKeyFUGQKGCFWUSJLG-UHFFFAOYSA-N
MW413.55 g/mol
LogP5.43
Rot. Bonds4

About 5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine

5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 10173188) has the molecular formula C24H23N5S and a molecular weight of 413.55 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID10173188
Molecular FormulaC24H23N5S
Molecular Weight413.55 g/mol
Exact Mass413.17
IUPAC Name5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(Sc2ccc3ccccc3c2)nc2c1C(c1cc(C3CC3)n[nH]1)CCC2
InChIInChI=1S/C24H23N5S/c25-23-22-18(21-13-20(28-29-21)15-8-9-15)6-3-7-19(22)26-24(27-23)30-17-11-10-14-4-1-2-5-16(14)12-17/h1-2,4-5,10-13,15,18H,3,6-9H2,(H,28,29)(H2,25,26,27)
InChIKeyFUGQKGCFWUSJLG-UHFFFAOYSA-N
XLogP5.43
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 10173188) is 5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(Sc2ccc3ccccc3c2)nc2c1C(c1cc(C3CC3)n[nH]1)CCC2.
What is the InChIKey of 5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is FUGQKGCFWUSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5S/c25-23-22-18(21-13-20(28-29-21)15-8-9-15)6-3-7-19(22)26-24(27-23)30-17-11-10-14-4-1-2-5-16(14)12-17/h1-2,4-5,10-13,15,18H,3,6-9H2,(H,28,29)(H2,25,26,27).
What are the key properties of 5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine?
5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 413.55 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 10173188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).