2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine

C21H17N7S — CID 10172971

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESNc1nc(Sc2nc3ccccc3[nH]2)nc2cccc(-c3cc(C4CC4)[nH]n3)c12
InChIInChI=1S/C21H17N7S/c22-19-18-12(17-10-16(27-28-17)11-8-9-11)4-3-7-15(18)25-21(26-19)29-20-23-13-5-1-2-6-14(13)24-20/h1-7,10-11H,8-9H2,(H,23,24)(H,27,28)(H2,22,25,26)
InChIKeyIIUONUXNYMZZCW-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.51
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 10172971) has the molecular formula C21H17N7S and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID10172971
Molecular FormulaC21H17N7S
Molecular Weight399.48 g/mol
Exact Mass399.13
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESNc1nc(Sc2nc3ccccc3[nH]2)nc2cccc(-c3cc(C4CC4)[nH]n3)c12
InChIInChI=1S/C21H17N7S/c22-19-18-12(17-10-16(27-28-17)11-8-9-11)4-3-7-15(18)25-21(26-19)29-20-23-13-5-1-2-6-14(13)24-20/h1-7,10-11H,8-9H2,(H,23,24)(H,27,28)(H2,22,25,26)
InChIKeyIIUONUXNYMZZCW-UHFFFAOYSA-N
XLogP4.51
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine with MolForge

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Related Compounds

5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylquinazolin-4-amine
CID 10237584
2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10236949
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
5-bromo-3-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 141469156
6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine
CID 80647029
4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine
CID 114991117
4-(1H-benzimidazol-2-ylsulfanyl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80920631
4-(1H-benzimidazol-2-ylsulfanyl)-3-chloro-2,3-dihydrothiophene 1,1-dioxide
CID 3804960
2-amino-4-(1H-benzimidazol-2-ylsulfanyl)benzenesulfonamide
CID 79466724
5-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 10173188
2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 10172971) is 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine is Nc1nc(Sc2nc3ccccc3[nH]2)nc2cccc(-c3cc(C4CC4)[nH]n3)c12.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is IIUONUXNYMZZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7S/c22-19-18-12(17-10-16(27-28-17)11-8-9-11)4-3-7-15(18)25-21(26-19)29-20-23-13-5-1-2-6-14(13)24-20/h1-7,10-11H,8-9H2,(H,23,24)(H,27,28)(H2,22,25,26).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 399.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-5-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 10172971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).