8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine

C30H34N8O3S2 — CID 174240526

IUPAC8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(CC(C)Nc4ncnc5c(-c6cn(C)nc6C6CC6)cccc45)CC3)s2)on1
InChIInChI=1S/C30H34N8O3S2/c1-19-15-25(41-35-19)26-9-10-27(42-26)43(39,40)38-13-11-37(12-14-38)16-20(2)33-30-23-6-4-5-22(29(23)31-18-32-30)24-17-36(3)34-28(24)21-7-8-21/h4-6,9-10,15,17-18,20-21H,7-8,11-14,16H2,1-3H3,(H,31,32,33)
InChIKeyOROHLAORBQLUFD-UHFFFAOYSA-N
MW618.79 g/mol
LogP4.74
Rot. Bonds9

About 8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine

8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine (PubChem CID 174240526) has the molecular formula C30H34N8O3S2 and a molecular weight of 618.79 g/mol. Its IUPAC name is 8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine.

Molecular Properties

Compound Name8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine
PubChem CID174240526
Molecular FormulaC30H34N8O3S2
Molecular Weight618.79 g/mol
Exact Mass618.22
IUPAC Name8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCN(CC(C)Nc4ncnc5c(-c6cn(C)nc6C6CC6)cccc45)CC3)s2)on1
InChIInChI=1S/C30H34N8O3S2/c1-19-15-25(41-35-19)26-9-10-27(42-26)43(39,40)38-13-11-37(12-14-38)16-20(2)33-30-23-6-4-5-22(29(23)31-18-32-30)24-17-36(3)34-28(24)21-7-8-21/h4-6,9-10,15,17-18,20-21H,7-8,11-14,16H2,1-3H3,(H,31,32,33)
InChIKeyOROHLAORBQLUFD-UHFFFAOYSA-N
XLogP4.74
TPSA122.28 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.79
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine with MolForge

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Related Compounds

N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 167377298
N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 174197538
7-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2S)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 167377321
8-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[(2S)-1-(4-pyridin-2-ylsulfonylpiperazin-1-yl)propan-2-yl]quinazolin-4-amine
CID 170555457
N-[1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine
CID 170352910
methyl N-[4-methyl-5-[4-[2-[[8-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]propyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]carbamate
CID 174240516
6-[4-[(2S)-2-[[8-(2,4-dimethyl-1,3-thiazol-5-yl)quinazolin-4-yl]amino]propyl]piperazin-1-yl]sulfonyl-3H-1,3-benzothiazol-2-one
CID 170555525
3-methyl-5-[5-(3-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936295
N-[(2S)-1-[4-[3-(1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]propan-2-yl]-8-(trifluoromethyl)quinazolin-4-amine
CID 164852538
[5-[4-[2-[[8-[1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrazol-4-yl]quinazolin-4-yl]amino]propyl]piperazin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]carbamic acid
CID 174187506
methyl N-[4-methyl-5-[4-[(2S)-2-[[8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]quinazolin-4-yl]amino]propyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]carbamate
CID 170555439
methyl N-[4-methyl-5-[4-[2-[[8-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-yl]amino]propyl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]carbamate
CID 174240513

Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine?
The IUPAC name of 8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine (CID 174240526) is 8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine.
What is the SMILES notation for 8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine?
The canonical SMILES for 8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine is Cc1cc(-c2ccc(S(=O)(=O)N3CCN(CC(C)Nc4ncnc5c(-c6cn(C)nc6C6CC6)cccc45)CC3)s2)on1.
What is the InChIKey of 8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine?
The InChIKey is OROHLAORBQLUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O3S2/c1-19-15-25(41-35-19)26-9-10-27(42-26)43(39,40)38-13-11-37(12-14-38)16-20(2)33-30-23-6-4-5-22(29(23)31-18-32-30)24-17-36(3)34-28(24)21-7-8-21/h4-6,9-10,15,17-18,20-21H,7-8,11-14,16H2,1-3H3,(H,31,32,33).
What are the key properties of 8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine?
8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine has a molecular weight of 618.79 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-[1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]quinazolin-4-amine is sourced from PubChem (CID 174240526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).